NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
2189 | 1bip | cing | recoord | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 930 H/Q atoms Start of MODEL 1 1 1H SER 1 HT3 SER 1 -21.834 -0.032 11.438 2 2H SER 1 HT2 SER 1 -20.244 0.503 11.170 3 3H SER 1 HT1 SER 1 -20.745 0.072 12.735 4 HA SER 1 HA SER 1 -22.289 1.921 12.788 5 1HB SER 1 HB2 SER 1 -20.005 2.293 13.608 6 2HB SER 1 HB1 SER 1 -19.462 2.662 11.973 7 HG SER 1 HG SER 1 -19.911 4.579 13.040 8 H VAL 2 HN VAL 2 -20.058 2.583 10.077 9 HA VAL 2 HA VAL 2 -22.404 3.343 8.405 10 HB VAL 2 HB VAL 2 -20.742 5.218 7.511 11 1HG1 VAL 2 HG12 VAL 2 -23.026 5.441 8.592 12 2HG1 VAL 2 HG11 VAL 2 -22.194 5.599 10.139 13 3HG1 VAL 2 HG13 VAL 2 -21.932 6.796 8.869 14 1HG2 VAL 2 HG21 VAL 2 -19.099 4.284 9.441 15 2HG2 VAL 2 HG23 VAL 2 -19.121 5.981 8.961 16 3HG2 VAL 2 HG22 VAL 2 -20.006 5.458 10.393 17 H GLY 3 HN GLY 3 -19.008 3.829 7.468 18 1HA GLY 3 HA2 GLY 3 -19.382 1.742 5.374 19 2HA GLY 3 HA1 GLY 3 -18.236 3.080 5.281 20 H THR 4 HN THR 4 -18.957 0.229 7.316 21 HA THR 4 HA THR 4 -16.037 -0.034 7.874 22 HB THR 4 HB THR 4 -17.505 0.123 9.854 23 HG1 THR 4 HG1 THR 4 -16.291 -1.298 10.791 24 1HG2 THR 4 HG21 THR 4 -19.233 -1.485 8.319 25 2HG2 THR 4 HG23 THR 4 -18.710 -2.504 9.660 26 3HG2 THR 4 HG22 THR 4 -19.478 -0.950 9.982 27 H SER 5 HN SER 5 -17.635 -0.963 5.409 28 HA SER 5 HA SER 5 -17.900 -3.782 5.340 29 1HB SER 5 HB2 SER 5 -17.400 -3.488 2.850 30 2HB SER 5 HB1 SER 5 -18.723 -2.512 3.485 31 HG SER 5 HG SER 5 -16.030 -1.643 3.243 32 H CYS 6 HN CYS 6 -16.348 -5.228 3.979 33 HA CYS 6 HA CYS 6 -14.255 -6.268 3.747 34 1HB CYS 6 HB2 CYS 6 -13.073 -3.531 4.291 35 2HB CYS 6 HB1 CYS 6 -12.323 -4.860 3.412 36 H ILE 7 HN ILE 7 -13.598 -7.598 5.354 37 HA ILE 7 HA ILE 7 -13.572 -6.759 8.148 38 HB ILE 7 HB ILE 7 -12.266 -9.314 7.259 39 1HG1 ILE 7 HG12 ILE 7 -14.908 -10.061 7.551 40 2HG1 ILE 7 HG11 ILE 7 -15.056 -8.537 6.674 41 1HG2 ILE 7 HG23 ILE 7 -13.804 -8.276 9.608 42 2HG2 ILE 7 HG22 ILE 7 -13.829 -10.009 9.284 43 3HG2 ILE 7 HG21 ILE 7 -12.295 -9.189 9.569 44 1HD1 ILE 7 HD13 ILE 7 -13.015 -9.670 5.294 45 2HD1 ILE 7 HD12 ILE 7 -13.888 -11.119 5.794 46 3HD1 ILE 7 HD11 ILE 7 -14.709 -9.876 4.851 47 HA PRO 8 HA PRO 8 -9.298 -5.532 8.071 48 1HB PRO 8 HB2 PRO 8 -8.857 -5.281 10.758 49 2HB PRO 8 HB1 PRO 8 -9.767 -4.105 9.803 50 1HG PRO 8 HG2 PRO 8 -10.787 -6.120 11.738 51 2HG PRO 8 HG1 PRO 8 -11.511 -4.586 11.224 52 1HD PRO 8 HD2 PRO 8 -12.231 -7.186 10.322 53 2HD PRO 8 HD1 PRO 8 -12.787 -5.641 9.648 54 H GLY 9 HN GLY 9 -8.907 -7.150 11.051 55 1HA GLY 9 HA2 GLY 9 -6.670 -8.593 10.654 56 2HA GLY 9 HA1 GLY 9 -7.927 -9.170 11.726 57 H MET 10 HN MET 10 -9.722 -9.447 9.192 58 HA MET 10 HA MET 10 -8.605 -12.051 8.294 59 1HB MET 10 HB2 MET 10 -11.497 -11.131 8.239 60 2HB MET 10 HB1 MET 10 -10.895 -12.753 7.891 61 1HG MET 10 HG2 MET 10 -9.871 -12.577 10.311 62 2HG MET 10 HG1 MET 10 -11.111 -11.343 10.533 63 1HE MET 10 HE2 MET 10 -12.641 -11.762 11.741 64 2HE MET 10 HE1 MET 10 -13.939 -12.946 11.600 65 3HE MET 10 HE3 MET 10 -12.496 -13.319 12.553 66 H ALA 11 HN ALA 11 -7.781 -11.777 6.093 67 HA ALA 11 HA ALA 11 -7.901 -11.249 3.815 68 1HB ALA 11 HB2 ALA 11 -10.484 -11.065 4.234 69 2HB ALA 11 HB1 ALA 11 -10.176 -9.330 4.221 70 3HB ALA 11 HB3 ALA 11 -9.780 -10.307 2.806 71 H ILE 12 HN ILE 12 -8.564 -8.440 6.061 72 HA ILE 12 HA ILE 12 -6.289 -7.070 4.618 73 HB ILE 12 HB ILE 12 -8.806 -5.799 5.736 74 1HG1 ILE 12 HG12 ILE 12 -7.818 -6.031 2.876 75 2HG1 ILE 12 HG11 ILE 12 -9.067 -7.058 3.582 76 1HG2 ILE 12 HG21 ILE 12 -6.172 -4.723 5.071 77 2HG2 ILE 12 HG23 ILE 12 -7.447 -3.967 4.114 78 3HG2 ILE 12 HG22 ILE 12 -7.530 -3.938 5.875 79 1HD1 ILE 12 HD12 ILE 12 -10.288 -4.878 4.183 80 2HD1 ILE 12 HD11 ILE 12 -9.163 -4.079 3.084 81 3HD1 ILE 12 HD13 ILE 12 -10.257 -5.321 2.476 82 HA PRO 13 HA PRO 13 -5.624 -7.618 9.189 83 1HB PRO 13 HB2 PRO 13 -2.981 -8.401 9.091 84 2HB PRO 13 HB1 PRO 13 -4.362 -9.508 9.024 85 1HG PRO 13 HG2 PRO 13 -2.538 -8.652 6.840 86 2HG PRO 13 HG1 PRO 13 -3.520 -10.121 6.972 87 1HD PRO 13 HD2 PRO 13 -4.096 -7.837 5.418 88 2HD PRO 13 HD1 PRO 13 -5.207 -9.183 5.750 89 H HIS 14 HN HIS 14 -3.938 -6.679 10.647 90 HA HIS 14 HA HIS 14 -3.638 -3.890 10.129 91 1HB HIS 14 HB2 HIS 14 -2.253 -5.480 12.322 92 2HB HIS 14 HB1 HIS 14 -2.792 -3.816 12.356 93 HD1 HIS 14 HD1 HIS 14 -5.328 -3.351 12.806 94 HD2 HIS 14 HD2 HIS 14 -4.346 -7.403 12.725 95 HE1 HIS 14 HE1 HIS 14 -7.343 -4.609 13.719 96 H ASN 15 HN ASN 15 -1.616 -2.715 9.763 97 HA ASN 15 HA ASN 15 0.532 -2.373 8.942 98 1HB ASN 15 HB2 ASN 15 0.924 -4.060 10.966 99 2HB ASN 15 HB1 ASN 15 1.368 -5.159 9.661 100 1HD2 ASN 15 HD22 ASN 15 4.608 -3.730 10.030 101 2HD2 ASN 15 HD21 ASN 15 3.647 -5.097 10.322 102 HA PRO 16 HA PRO 16 -0.612 -5.066 5.257 103 1HB PRO 16 HB2 PRO 16 -1.835 -3.133 3.750 104 2HB PRO 16 HB1 PRO 16 -2.707 -4.174 4.890 105 1HG PRO 16 HG2 PRO 16 -1.934 -1.300 5.179 106 2HG PRO 16 HG1 PRO 16 -3.316 -2.166 5.871 107 1HD PRO 16 HD2 PRO 16 -0.958 -1.498 7.272 108 2HD PRO 16 HD1 PRO 16 -2.168 -2.701 7.765 109 H LEU 17 HN LEU 17 0.343 -4.910 3.129 110 HA LEU 17 HA LEU 17 2.077 -4.405 1.653 111 1HB LEU 17 HB2 LEU 17 1.441 -1.543 2.432 112 2HB LEU 17 HB1 LEU 17 2.155 -2.099 0.918 113 HG LEU 17 HG LEU 17 -0.616 -2.846 1.906 114 1HD1 LEU 17 HD13 LEU 17 0.291 -0.889 -0.228 115 2HD1 LEU 17 HD12 LEU 17 -1.379 -1.405 0.011 116 3HD1 LEU 17 HD11 LEU 17 -0.549 -0.493 1.271 117 1HD2 LEU 17 HD23 LEU 17 1.079 -3.635 -0.428 118 2HD2 LEU 17 HD22 LEU 17 -0.076 -4.596 0.494 119 3HD2 LEU 17 HD21 LEU 17 -0.652 -3.434 -0.702 120 H ASP 18 HN ASP 18 3.057 -5.112 4.173 121 HA ASP 18 HA ASP 18 4.994 -3.205 5.187 122 1HB ASP 18 HB2 ASP 18 5.986 -5.242 6.333 123 2HB ASP 18 HB1 ASP 18 4.279 -4.955 6.669 124 H SER 19 HN SER 19 5.118 -5.883 2.918 125 HA SER 19 HA SER 19 7.945 -5.838 2.414 126 1HB SER 19 HB2 SER 19 5.894 -7.472 1.648 127 2HB SER 19 HB1 SER 19 6.166 -6.574 0.158 128 HG SER 19 HG SER 19 8.075 -8.021 1.688 129 H CYS 20 HN CYS 20 5.246 -3.923 1.274 130 HA CYS 20 HA CYS 20 6.587 -2.728 -0.991 131 1HB CYS 20 HB2 CYS 20 4.255 -1.639 0.596 132 2HB CYS 20 HB1 CYS 20 4.707 -1.208 -1.053 133 H ARG 21 HN ARG 21 6.184 -1.937 2.420 134 HA ARG 21 HA ARG 21 7.271 0.694 2.358 135 1HB ARG 21 HB2 ARG 21 6.675 0.644 4.535 136 2HB ARG 21 HB1 ARG 21 6.140 -1.006 4.274 137 1HG ARG 21 HG2 ARG 21 8.270 -1.881 5.045 138 2HG ARG 21 HG1 ARG 21 8.956 -0.258 5.124 139 1HD ARG 21 HD2 ARG 21 7.237 0.343 6.829 140 2HD ARG 21 HD1 ARG 21 6.661 -1.324 6.796 141 HE ARG 21 HE ARG 21 9.505 -0.764 7.500 142 1HH1 ARG 21 HH11 ARG 21 7.449 -3.268 7.570 143 2HH1 ARG 21 HH12 ARG 21 7.457 -3.531 9.283 144 1HH2 ARG 21 HH21 ARG 21 9.056 -0.539 10.004 145 2HH2 ARG 21 HH22 ARG 21 8.368 -1.986 10.660 146 H TRP 22 HN TRP 22 8.840 -2.419 3.244 147 HA TRP 22 HA TRP 22 11.465 -1.271 3.390 148 1HB TRP 22 HB2 TRP 22 10.567 -4.124 3.172 149 2HB TRP 22 HB1 TRP 22 12.261 -3.693 3.029 150 HD1 TRP 22 HD1 TRP 22 9.991 -4.685 5.571 151 HE1 TRP 22 HE1 TRP 22 10.739 -3.846 7.910 152 HE3 TRP 22 HE3 TRP 22 13.350 -1.318 4.099 153 HZ2 TRP 22 HZ2 TRP 22 12.614 -1.904 8.976 154 HZ3 TRP 22 HZ3 TRP 22 14.654 0.059 5.735 155 HH2 TRP 22 HH2 TRP 22 14.283 -0.242 8.175 156 H TYR 23 HN TYR 23 9.538 -2.469 0.739 157 HA TYR 23 HA TYR 23 11.681 -2.769 -1.160 158 1HB TYR 23 HB2 TYR 23 9.451 -3.766 -1.528 159 2HB TYR 23 HB1 TYR 23 8.762 -2.149 -1.712 160 HD1 TYR 23 HD2 TYR 23 11.547 -4.288 -3.030 161 HD2 TYR 23 HD1 TYR 23 8.668 -1.211 -3.863 162 HE1 TYR 23 HE2 TYR 23 12.241 -4.287 -5.410 163 HE2 TYR 23 HE1 TYR 23 9.364 -1.208 -6.244 164 HH TYR 23 HH TYR 23 10.517 -3.129 -7.825 165 H VAL 24 HN VAL 24 9.810 -0.022 0.021 166 HA VAL 24 HA VAL 24 10.734 1.804 -2.060 167 HB VAL 24 HB VAL 24 9.818 2.479 0.753 168 1HG1 VAL 24 HG11 VAL 24 10.111 4.175 -1.746 169 2HG1 VAL 24 HG13 VAL 24 9.427 4.731 -0.218 170 3HG1 VAL 24 HG12 VAL 24 11.125 4.263 -0.306 171 1HG2 VAL 24 HG21 VAL 24 8.366 1.874 -1.783 172 2HG2 VAL 24 HG23 VAL 24 7.863 1.605 -0.114 173 3HG2 VAL 24 HG22 VAL 24 7.759 3.219 -0.816 174 H SER 25 HN SER 25 11.760 0.898 1.222 175 HA SER 25 HA SER 25 13.873 2.742 1.544 176 1HB SER 25 HB2 SER 25 14.140 -0.104 2.474 177 2HB SER 25 HB1 SER 25 14.689 1.371 3.263 178 HG SER 25 HG SER 25 12.424 1.919 3.464 179 H THR 26 HN THR 26 13.928 -0.451 -0.053 180 HA THR 26 HA THR 26 16.765 -0.348 -0.668 181 HB THR 26 HB THR 26 14.521 -2.175 -1.581 182 HG1 THR 26 HG1 THR 26 16.709 -2.629 0.150 183 1HG2 THR 26 HG21 THR 26 17.455 -2.183 -2.263 184 2HG2 THR 26 HG23 THR 26 16.560 -3.699 -2.159 185 3HG2 THR 26 HG22 THR 26 16.072 -2.464 -3.320 186 H ARG 27 HN ARG 27 13.868 -0.089 -2.733 187 HA ARG 27 HA ARG 27 15.244 0.382 -5.172 188 1HB ARG 27 HB2 ARG 27 12.823 -0.252 -4.948 189 2HB ARG 27 HB1 ARG 27 12.492 1.402 -4.428 190 1HG ARG 27 HG2 ARG 27 12.702 2.240 -6.532 191 2HG ARG 27 HG1 ARG 27 14.079 1.206 -6.911 192 1HD ARG 27 HD2 ARG 27 12.210 -0.692 -6.849 193 2HD ARG 27 HD1 ARG 27 11.159 0.668 -7.236 194 HE ARG 27 HE ARG 27 13.583 0.243 -8.903 195 1HH1 ARG 27 HH11 ARG 27 10.570 1.612 -8.875 196 2HH1 ARG 27 HH12 ARG 27 10.030 0.933 -10.374 197 1HH2 ARG 27 HH21 ARG 27 12.725 -1.230 -10.673 198 2HH2 ARG 27 HH22 ARG 27 11.251 -0.673 -11.393 199 H THR 28 HN THR 28 14.489 2.515 -2.520 200 HA THR 28 HA THR 28 15.090 4.910 -4.143 201 HB THR 28 HB THR 28 14.208 6.202 -2.285 202 HG1 THR 28 HG1 THR 28 13.758 5.306 -0.352 203 1HG2 THR 28 HG21 THR 28 12.626 3.737 -2.989 204 2HG2 THR 28 HG23 THR 28 11.957 5.047 -2.017 205 3HG2 THR 28 HG22 THR 28 12.483 5.357 -3.670 206 H CYS 29 HN CYS 29 16.169 3.797 -0.867 207 HA CYS 29 HA CYS 29 18.697 5.292 -1.306 208 1HB CYS 29 HB2 CYS 29 17.897 4.001 1.290 209 2HB CYS 29 HB1 CYS 29 18.955 5.383 1.028 210 H GLY 30 HN GLY 30 17.849 2.356 -2.133 211 1HA GLY 30 HA2 GLY 30 18.962 0.282 -2.370 212 2HA GLY 30 HA1 GLY 30 20.449 1.197 -2.123 213 H VAL 31 HN VAL 31 18.044 1.354 0.388 214 HA VAL 31 HA VAL 31 19.757 -0.353 2.143 215 HB VAL 31 HB VAL 31 17.787 1.827 2.914 216 1HG1 VAL 31 HG13 VAL 31 19.639 0.013 4.443 217 2HG1 VAL 31 HG12 VAL 31 19.247 1.611 5.078 218 3HG1 VAL 31 HG11 VAL 31 17.962 0.437 4.792 219 1HG2 VAL 31 HG23 VAL 31 20.722 1.819 2.317 220 2HG2 VAL 31 HG22 VAL 31 19.517 3.060 1.981 221 3HG2 VAL 31 HG21 VAL 31 20.139 2.854 3.618 222 H GLY 32 HN GLY 32 18.504 -1.570 3.869 223 1HA GLY 32 HA2 GLY 32 16.016 -2.211 4.384 224 2HA GLY 32 HA1 GLY 32 16.037 -2.673 2.678 225 HA PRO 33 HA PRO 33 17.682 -6.210 5.433 226 1HB PRO 33 HB2 PRO 33 15.884 -8.159 4.605 227 2HB PRO 33 HB1 PRO 33 15.695 -7.173 6.066 228 1HG PRO 33 HG2 PRO 33 14.359 -6.882 3.400 229 2HG PRO 33 HG1 PRO 33 13.718 -6.565 5.023 230 1HD PRO 33 HD2 PRO 33 14.532 -4.584 3.328 231 2HD PRO 33 HD1 PRO 33 14.575 -4.429 5.097 232 H ARG 34 HN ARG 34 18.484 -8.430 4.451 233 HA ARG 34 HA ARG 34 19.591 -7.809 1.792 234 1HB ARG 34 HB2 ARG 34 21.028 -9.870 2.269 235 2HB ARG 34 HB1 ARG 34 21.272 -8.488 3.333 236 1HG ARG 34 HG2 ARG 34 20.017 -9.502 5.096 237 2HG ARG 34 HG1 ARG 34 19.379 -10.747 4.025 238 1HD ARG 34 HD2 ARG 34 21.140 -12.074 4.476 239 2HD ARG 34 HD1 ARG 34 22.255 -10.823 3.926 240 HE ARG 34 HE ARG 34 21.351 -10.159 6.553 241 1HH1 ARG 34 HH21 ARG 34 24.124 -10.868 5.032 242 2HH1 ARG 34 HH22 ARG 34 24.816 -11.871 6.263 243 1HH2 ARG 34 HH11 ARG 34 21.871 -12.133 8.076 244 2HH2 ARG 34 HH12 ARG 34 23.541 -12.588 7.987 245 H LEU 35 HN LEU 35 17.810 -8.190 0.518 246 HA LEU 35 HA LEU 35 17.340 -11.026 -0.163 247 1HB LEU 35 HB2 LEU 35 14.939 -10.863 -0.106 248 2HB LEU 35 HB1 LEU 35 15.525 -10.297 1.453 249 HG LEU 35 HG LEU 35 14.767 -8.487 -0.864 250 1HD1 LEU 35 HD12 LEU 35 13.006 -9.928 0.603 251 2HD1 LEU 35 HD11 LEU 35 13.198 -8.529 1.660 252 3HD1 LEU 35 HD13 LEU 35 12.653 -8.311 -0.004 253 1HD2 LEU 35 HD23 LEU 35 15.962 -8.071 1.827 254 2HD2 LEU 35 HD22 LEU 35 16.120 -7.100 0.364 255 3HD2 LEU 35 HD21 LEU 35 14.680 -6.950 1.370 256 H ALA 36 HN ALA 36 15.539 -10.761 -2.203 257 HA ALA 36 HA ALA 36 17.040 -9.071 -4.128 258 1HB ALA 36 HB3 ALA 36 15.167 -11.409 -4.397 259 2HB ALA 36 HB2 ALA 36 15.465 -10.354 -5.779 260 3HB ALA 36 HB1 ALA 36 16.803 -11.220 -5.025 261 H THR 37 HN THR 37 15.734 -7.819 -5.755 262 HA THR 37 HA THR 37 13.664 -6.249 -4.405 263 HB THR 37 HB THR 37 13.634 -5.198 -6.853 264 HG1 THR 37 HG1 THR 37 15.119 -5.954 -8.093 265 1HG2 THR 37 HG23 THR 37 15.670 -4.920 -4.661 266 2HG2 THR 37 HG22 THR 37 15.779 -3.923 -6.111 267 3HG2 THR 37 HG21 THR 37 14.345 -3.836 -5.086 268 H GLN 38 HN GLN 38 13.731 -8.057 -7.507 269 HA GLN 38 HA GLN 38 11.000 -7.874 -8.131 270 1HB GLN 38 HB2 GLN 38 11.309 -10.018 -9.378 271 2HB GLN 38 HB1 GLN 38 12.598 -8.855 -9.687 272 1HG GLN 38 HG2 GLN 38 13.525 -10.239 -7.463 273 2HG GLN 38 HG1 GLN 38 12.737 -11.495 -8.416 274 1HE2 GLN 38 HE22 GLN 38 16.322 -10.161 -9.587 275 2HE2 GLN 38 HE21 GLN 38 15.659 -9.845 -8.057 276 H GLU 39 HN GLU 39 12.526 -9.839 -5.690 277 HA GLU 39 HA GLU 39 10.304 -11.654 -5.259 278 1HB GLU 39 HB2 GLU 39 12.625 -10.899 -3.457 279 2HB GLU 39 HB1 GLU 39 11.516 -12.243 -3.177 280 1HG GLU 39 HG2 GLU 39 13.079 -11.980 -5.749 281 2HG GLU 39 HG1 GLU 39 13.741 -12.807 -4.338 282 H MET 40 HN MET 40 11.477 -8.696 -3.662 283 HA MET 40 HA MET 40 9.493 -8.576 -1.595 284 1HB MET 40 HB2 MET 40 11.681 -7.165 -1.990 285 2HB MET 40 HB1 MET 40 10.606 -6.105 -2.886 286 1HG MET 40 HG2 MET 40 9.264 -5.651 -0.998 287 2HG MET 40 HG1 MET 40 9.895 -7.034 -0.108 288 1HE MET 40 HE3 MET 40 11.605 -7.152 1.297 289 2HE MET 40 HE2 MET 40 12.523 -5.808 1.971 290 3HE MET 40 HE1 MET 40 10.770 -5.841 2.141 291 H LYS 41 HN LYS 41 9.740 -6.917 -4.714 292 HA LYS 41 HA LYS 41 7.252 -5.609 -4.764 293 1HB LYS 41 HB2 LYS 41 9.079 -5.282 -6.436 294 2HB LYS 41 HB1 LYS 41 8.659 -6.835 -7.154 295 1HG LYS 41 HG2 LYS 41 6.559 -6.070 -7.890 296 2HG LYS 41 HG1 LYS 41 6.563 -4.706 -6.773 297 1HD LYS 41 HD2 LYS 41 7.405 -3.415 -8.416 298 2HD LYS 41 HD1 LYS 41 8.873 -4.391 -8.387 299 1HE LYS 41 HE2 LYS 41 8.045 -4.444 -10.644 300 2HE LYS 41 HE1 LYS 41 7.694 -6.020 -9.935 301 1HZ LYS 41 HZ2 LYS 41 5.758 -3.775 -9.980 302 2HZ LYS 41 HZ1 LYS 41 5.811 -4.990 -11.167 303 3HZ LYS 41 HZ3 LYS 41 5.453 -5.393 -9.559 304 H ALA 42 HN ALA 42 8.070 -8.946 -5.664 305 HA ALA 42 HA ALA 42 5.528 -9.705 -6.750 306 1HB ALA 42 HB2 ALA 42 7.616 -11.387 -5.319 307 2HB ALA 42 HB1 ALA 42 6.275 -12.029 -6.269 308 3HB ALA 42 HB3 ALA 42 7.542 -11.088 -7.056 309 H ARG 43 HN ARG 43 6.857 -9.675 -3.478 310 HA ARG 43 HA ARG 43 4.683 -10.989 -2.169 311 1HB ARG 43 HB2 ARG 43 6.762 -10.783 -0.978 312 2HB ARG 43 HB1 ARG 43 6.777 -9.036 -1.177 313 1HG ARG 43 HG2 ARG 43 6.116 -9.737 1.128 314 2HG ARG 43 HG1 ARG 43 4.863 -8.802 0.318 315 1HD ARG 43 HD2 ARG 43 3.407 -10.492 0.582 316 2HD ARG 43 HD1 ARG 43 4.472 -11.579 -0.304 317 HE ARG 43 HE ARG 43 4.875 -11.102 2.617 318 1HH1 ARG 43 HH11 ARG 43 6.129 -12.960 0.268 319 2HH1 ARG 43 HH12 ARG 43 5.688 -14.499 0.928 320 1HH2 ARG 43 HH21 ARG 43 3.555 -13.159 3.314 321 2HH2 ARG 43 HH22 ARG 43 4.228 -14.612 2.655 322 H CYS 44 HN CYS 44 5.279 -7.625 -3.095 323 HA CYS 44 HA CYS 44 3.077 -6.457 -1.664 324 1HB CYS 44 HB2 CYS 44 4.630 -5.573 -4.079 325 2HB CYS 44 HB1 CYS 44 3.211 -4.693 -3.501 326 H CYS 45 HN CYS 45 3.407 -7.952 -4.881 327 HA CYS 45 HA CYS 45 0.748 -7.200 -5.784 328 1HB CYS 45 HB2 CYS 45 2.809 -9.180 -6.745 329 2HB CYS 45 HB1 CYS 45 1.187 -9.184 -7.425 330 H ARG 46 HN ARG 46 2.073 -9.936 -3.987 331 HA ARG 46 HA ARG 46 -0.298 -11.590 -4.195 332 1HB ARG 46 HB2 ARG 46 2.121 -12.221 -3.420 333 2HB ARG 46 HB1 ARG 46 1.577 -11.704 -1.839 334 1HG ARG 46 HG2 ARG 46 0.969 -13.930 -1.750 335 2HG ARG 46 HG1 ARG 46 -0.510 -13.220 -2.395 336 1HD ARG 46 HD2 ARG 46 -0.323 -14.502 -4.233 337 2HD ARG 46 HD1 ARG 46 1.231 -13.755 -4.603 338 HE ARG 46 HE ARG 46 0.862 -16.271 -3.051 339 1HH1 ARG 46 HH11 ARG 46 3.213 -14.094 -2.773 340 2HH1 ARG 46 HH12 ARG 46 4.468 -14.984 -3.568 341 1HH2 ARG 46 HH21 ARG 46 2.315 -17.363 -4.881 342 2HH2 ARG 46 HH22 ARG 46 3.960 -16.835 -4.761 343 H GLN 47 HN GLN 47 0.849 -9.053 -2.032 344 HA GLN 47 HA GLN 47 -1.388 -9.331 -0.148 345 1HB GLN 47 HB2 GLN 47 0.479 -6.968 -0.512 346 2HB GLN 47 HB1 GLN 47 -0.490 -7.348 0.910 347 1HG GLN 47 HG2 GLN 47 1.079 -9.659 0.342 348 2HG GLN 47 HG1 GLN 47 2.156 -8.268 0.239 349 1HE2 GLN 47 HE22 GLN 47 2.430 -8.279 3.745 350 2HE2 GLN 47 HE21 GLN 47 3.218 -8.249 2.241 351 H LEU 48 HN LEU 48 -0.732 -7.606 -3.098 352 HA LEU 48 HA LEU 48 -2.722 -5.570 -2.865 353 1HB LEU 48 HB2 LEU 48 -0.642 -5.674 -4.404 354 2HB LEU 48 HB1 LEU 48 -1.612 -6.678 -5.464 355 HG LEU 48 HG LEU 48 -1.643 -4.288 -6.120 356 1HD1 LEU 48 HD13 LEU 48 -3.646 -6.020 -6.246 357 2HD1 LEU 48 HD12 LEU 48 -4.402 -4.862 -5.158 358 3HD1 LEU 48 HD11 LEU 48 -3.854 -4.344 -6.750 359 1HD2 LEU 48 HD21 LEU 48 -1.516 -3.478 -3.694 360 2HD2 LEU 48 HD23 LEU 48 -2.630 -2.607 -4.747 361 3HD2 LEU 48 HD22 LEU 48 -3.246 -3.797 -3.603 362 H GLU 49 HN GLU 49 -2.718 -8.779 -4.492 363 HA GLU 49 HA GLU 49 -5.519 -8.451 -5.282 364 1HB GLU 49 HB2 GLU 49 -3.618 -9.947 -6.379 365 2HB GLU 49 HB1 GLU 49 -4.144 -11.134 -5.185 366 1HG GLU 49 HG2 GLU 49 -6.407 -11.081 -6.025 367 2HG GLU 49 HG1 GLU 49 -6.036 -9.720 -7.084 368 H ALA 50 HN ALA 50 -3.698 -10.122 -2.711 369 HA ALA 50 HA ALA 50 -5.760 -11.612 -1.474 370 1HB ALA 50 HB2 ALA 50 -3.279 -10.242 -0.467 371 2HB ALA 50 HB1 ALA 50 -4.429 -10.889 0.704 372 3HB ALA 50 HB3 ALA 50 -3.675 -11.961 -0.475 373 H ILE 51 HN ILE 51 -4.937 -8.204 -1.347 374 HA ILE 51 HA ILE 51 -7.138 -7.521 0.488 375 HB ILE 51 HB ILE 51 -5.206 -5.769 -1.075 376 1HG1 ILE 51 HG12 ILE 51 -5.189 -6.285 1.898 377 2HG1 ILE 51 HG11 ILE 51 -4.346 -7.368 0.791 378 1HG2 ILE 51 HG22 ILE 51 -7.460 -4.776 -0.348 379 2HG2 ILE 51 HG21 ILE 51 -6.902 -5.004 1.309 380 3HG2 ILE 51 HG23 ILE 51 -6.015 -3.938 0.220 381 1HD1 ILE 51 HD13 ILE 51 -3.318 -5.153 -0.168 382 2HD1 ILE 51 HD12 ILE 51 -3.796 -4.474 1.388 383 3HD1 ILE 51 HD11 ILE 51 -2.668 -5.830 1.326 384 HA PRO 52 HA PRO 52 -9.573 -7.721 -3.347 385 1HB PRO 52 HB2 PRO 52 -12.022 -7.237 -2.165 386 2HB PRO 52 HB1 PRO 52 -11.257 -8.833 -2.271 387 1HG PRO 52 HG2 PRO 52 -11.400 -6.959 0.070 388 2HG PRO 52 HG1 PRO 52 -11.424 -8.732 0.048 389 1HD PRO 52 HD2 PRO 52 -9.184 -7.254 0.707 390 2HD PRO 52 HD1 PRO 52 -9.115 -8.891 0.025 391 H ALA 53 HN ALA 53 -10.504 -6.187 -4.712 392 HA ALA 53 HA ALA 53 -9.671 -3.541 -4.633 393 1HB ALA 53 HB2 ALA 53 -11.739 -5.040 -6.106 394 2HB ALA 53 HB1 ALA 53 -11.980 -3.293 -6.058 395 3HB ALA 53 HB3 ALA 53 -10.481 -3.959 -6.706 396 H TYR 54 HN TYR 54 -12.440 -4.932 -3.002 397 HA TYR 54 HA TYR 54 -13.766 -2.426 -2.367 398 1HB TYR 54 HB2 TYR 54 -13.876 -5.169 -1.068 399 2HB TYR 54 HB1 TYR 54 -14.913 -3.820 -0.606 400 HD1 TYR 54 HD1 TYR 54 -14.047 -6.166 -3.340 401 HD2 TYR 54 HD2 TYR 54 -16.766 -3.129 -1.985 402 HE1 TYR 54 HE1 TYR 54 -15.607 -6.739 -5.183 403 HE2 TYR 54 HE2 TYR 54 -18.324 -3.700 -3.826 404 HH TYR 54 HH TYR 54 -17.953 -4.826 -6.258 405 H CYS 55 HN CYS 55 -12.770 -0.907 -1.110 406 HA CYS 55 HA CYS 55 -11.640 0.059 0.722 407 1HB CYS 55 HB2 CYS 55 -11.404 -2.719 1.911 408 2HB CYS 55 HB1 CYS 55 -11.393 -1.175 2.754 409 H ARG 56 HN ARG 56 -10.315 -1.860 -1.590 410 HA ARG 56 HA ARG 56 -7.811 -2.770 -0.746 411 1HB ARG 56 HB2 ARG 56 -8.630 -3.184 -2.987 412 2HB ARG 56 HB1 ARG 56 -8.648 -1.465 -3.359 413 1HG ARG 56 HG2 ARG 56 -6.612 -1.845 -4.272 414 2HG ARG 56 HG1 ARG 56 -6.023 -1.849 -2.618 415 1HD ARG 56 HD2 ARG 56 -5.201 -3.889 -3.329 416 2HD ARG 56 HD1 ARG 56 -6.752 -4.380 -2.676 417 HE ARG 56 HE ARG 56 -7.006 -5.308 -4.855 418 1HH1 ARG 56 HH11 ARG 56 -4.853 -2.719 -5.236 419 2HH1 ARG 56 HH12 ARG 56 -5.352 -2.326 -6.847 420 1HH2 ARG 56 HH21 ARG 56 -8.037 -4.512 -6.841 421 2HH2 ARG 56 HH22 ARG 56 -7.148 -3.334 -7.748 422 H CYS 57 HN CYS 57 -7.531 0.116 -2.800 423 HA CYS 57 HA CYS 57 -5.291 1.291 -1.851 424 1HB CYS 57 HB2 CYS 57 -7.863 2.749 -2.477 425 2HB CYS 57 HB1 CYS 57 -6.283 3.528 -2.368 426 H GLU 58 HN GLU 58 -8.340 1.532 0.085 427 HA GLU 58 HA GLU 58 -7.771 3.458 1.949 428 1HB GLU 58 HB2 GLU 58 -9.710 1.754 1.880 429 2HB GLU 58 HB1 GLU 58 -8.669 0.737 2.878 430 1HG GLU 58 HG2 GLU 58 -8.874 2.091 4.711 431 2HG GLU 58 HG1 GLU 58 -8.909 3.566 3.745 432 H ALA 59 HN ALA 59 -6.517 0.080 2.241 433 HA ALA 59 HA ALA 59 -5.073 0.214 4.573 434 1HB ALA 59 HB2 ALA 59 -4.192 -1.071 1.990 435 2HB ALA 59 HB1 ALA 59 -3.495 -1.422 3.571 436 3HB ALA 59 HB3 ALA 59 -5.183 -1.815 3.244 437 H VAL 60 HN VAL 60 -3.816 1.354 1.434 438 HA VAL 60 HA VAL 60 -1.212 2.124 2.188 439 HB VAL 60 HB VAL 60 -3.063 3.682 0.350 440 1HG1 VAL 60 HG12 VAL 60 -0.138 3.714 0.930 441 2HG1 VAL 60 HG11 VAL 60 -0.629 3.902 -0.753 442 3HG1 VAL 60 HG13 VAL 60 -1.205 5.038 0.466 443 1HG2 VAL 60 HG23 VAL 60 -2.430 1.024 0.093 444 2HG2 VAL 60 HG22 VAL 60 -2.766 2.097 -1.265 445 3HG2 VAL 60 HG21 VAL 60 -1.100 1.777 -0.785 446 H ARG 61 HN ARG 61 -4.237 3.937 2.409 447 HA ARG 61 HA ARG 61 -3.247 6.311 3.651 448 1HB ARG 61 HB2 ARG 61 -5.573 5.991 2.723 449 2HB ARG 61 HB1 ARG 61 -5.943 5.006 4.140 450 1HG ARG 61 HG2 ARG 61 -6.694 7.177 4.724 451 2HG ARG 61 HG1 ARG 61 -5.131 7.022 5.529 452 1HD ARG 61 HD2 ARG 61 -4.082 8.492 4.082 453 2HD ARG 61 HD1 ARG 61 -5.171 8.119 2.747 454 HE ARG 61 HE ARG 61 -6.688 9.404 4.780 455 1HH1 ARG 61 HH11 ARG 61 -5.895 10.023 1.736 456 2HH1 ARG 61 HH12 ARG 61 -5.475 11.694 1.921 457 1HH2 ARG 61 HH21 ARG 61 -5.386 11.566 5.384 458 2HH2 ARG 61 HH22 ARG 61 -5.186 12.566 3.984 459 H ILE 62 HN ILE 62 -4.601 3.344 5.107 460 HA ILE 62 HA ILE 62 -4.334 3.923 7.847 461 HB ILE 62 HB ILE 62 -4.008 1.331 6.296 462 1HG1 ILE 62 HG12 ILE 62 -6.214 2.368 6.107 463 2HG1 ILE 62 HG11 ILE 62 -6.314 0.903 7.077 464 1HG2 ILE 62 HG23 ILE 62 -3.775 1.863 9.198 465 2HG2 ILE 62 HG22 ILE 62 -4.750 0.469 8.729 466 3HG2 ILE 62 HG21 ILE 62 -3.066 0.577 8.223 467 1HD1 ILE 62 HD13 ILE 62 -5.751 3.044 8.866 468 2HD1 ILE 62 HD12 ILE 62 -7.049 3.582 7.804 469 3HD1 ILE 62 HD11 ILE 62 -7.236 2.101 8.741 470 H LEU 63 HN LEU 63 -1.854 3.156 5.500 471 HA LEU 63 HA LEU 63 0.153 2.613 7.527 472 1HB LEU 63 HB2 LEU 63 0.298 1.633 5.226 473 2HB LEU 63 HB1 LEU 63 0.541 3.256 4.587 474 HG LEU 63 HG LEU 63 2.417 2.962 6.697 475 1HD1 LEU 63 HD12 LEU 63 1.811 0.439 6.143 476 2HD1 LEU 63 HD11 LEU 63 2.881 0.716 4.769 477 3HD1 LEU 63 HD13 LEU 63 3.484 0.925 6.414 478 1HD2 LEU 63 HD21 LEU 63 2.385 4.018 4.216 479 2HD2 LEU 63 HD23 LEU 63 3.886 3.678 5.076 480 3HD2 LEU 63 HD22 LEU 63 3.280 2.538 3.875 481 H MET 64 HN MET 64 -0.740 5.374 5.505 482 HA MET 64 HA MET 64 1.446 7.012 6.544 483 1HB MET 64 HB2 MET 64 0.390 7.395 4.305 484 2HB MET 64 HB1 MET 64 -1.095 7.897 5.111 485 1HG MET 64 HG2 MET 64 0.327 9.621 6.352 486 2HG MET 64 HG1 MET 64 1.612 9.242 5.204 487 1HE MET 64 HE2 MET 64 -0.941 11.527 6.099 488 2HE MET 64 HE1 MET 64 -1.968 11.892 4.714 489 3HE MET 64 HE3 MET 64 -2.144 10.354 5.571 490 H ASP 65 HN ASP 65 -2.123 7.143 7.028 491 HA ASP 65 HA ASP 65 -1.805 8.981 9.266 492 1HB ASP 65 HB2 ASP 65 -4.263 7.843 7.887 493 2HB ASP 65 HB1 ASP 65 -4.383 8.608 9.473 494 H GLY 66 HN GLY 66 -2.080 5.504 8.935 495 1HA GLY 66 HA2 GLY 66 -1.658 3.940 10.695 496 2HA GLY 66 HA1 GLY 66 -1.809 5.247 11.865 497 H VAL 67 HN VAL 67 -3.079 2.560 11.807 498 HA VAL 67 HA VAL 67 -5.974 3.342 11.821 499 HB VAL 67 HB VAL 67 -5.482 1.616 10.157 500 1HG1 VAL 67 HG12 VAL 67 -3.646 0.676 12.029 501 2HG1 VAL 67 HG11 VAL 67 -4.910 -0.552 12.026 502 3HG1 VAL 67 HG13 VAL 67 -4.087 -0.130 10.528 503 1HG2 VAL 67 HG21 VAL 67 -7.628 1.606 11.516 504 2HG2 VAL 67 HG23 VAL 67 -7.202 0.075 10.750 505 3HG2 VAL 67 HG22 VAL 67 -6.906 0.313 12.473 506 H VAL 68 HN VAL 68 -7.310 2.280 13.450 507 HA VAL 68 HA VAL 68 -5.795 1.623 15.936 508 HB VAL 68 HB VAL 68 -8.450 3.053 15.572 509 1HG1 VAL 68 HG11 VAL 68 -7.185 2.051 18.151 510 2HG1 VAL 68 HG13 VAL 68 -8.613 3.079 18.047 511 3HG1 VAL 68 HG12 VAL 68 -8.668 1.429 17.428 512 1HG2 VAL 68 HG22 VAL 68 -5.680 3.765 16.400 513 2HG2 VAL 68 HG21 VAL 68 -6.876 4.730 15.535 514 3HG2 VAL 68 HG23 VAL 68 -6.990 4.543 17.286 515 H THR 69 HN THR 69 -6.807 0.041 17.297 516 HA THR 69 HA THR 69 -8.425 -1.955 15.808 517 HB THR 69 HB THR 69 -7.258 -3.659 17.252 518 HG1 THR 69 HG1 THR 69 -5.865 -2.998 18.667 519 1HG2 THR 69 HG23 THR 69 -6.590 -3.023 14.890 520 2HG2 THR 69 HG22 THR 69 -5.362 -1.977 15.602 521 3HG2 THR 69 HG21 THR 69 -5.302 -3.720 15.870 522 H SER 70 HN SER 70 -9.750 -3.330 17.119 523 HA SER 70 HA SER 70 -11.506 -1.916 18.830 524 1HB SER 70 HB2 SER 70 -12.053 -3.950 17.451 525 2HB SER 70 HB1 SER 70 -11.181 -4.916 18.639 526 HG SER 70 HG SER 70 -13.629 -3.592 18.825 527 H SER 71 HN SER 71 -8.724 -3.867 19.498 528 HA SER 71 HA SER 71 -9.188 -4.237 22.329 529 1HB SER 71 HB2 SER 71 -6.635 -4.687 22.287 530 2HB SER 71 HB1 SER 71 -7.682 -5.780 21.388 531 HG SER 71 HG SER 71 -6.707 -5.162 19.641 532 H GLY 72 HN GLY 72 -8.085 -1.557 20.454 533 1HA GLY 72 HA2 GLY 72 -7.920 0.677 21.455 534 2HA GLY 72 HA1 GLY 72 -7.396 -0.099 22.952 535 H GLN 73 HN GLN 73 -5.947 -1.510 20.144 536 HA GLN 73 HA GLN 73 -3.376 -0.139 20.827 537 1HB GLN 73 HB2 GLN 73 -3.987 -2.744 19.400 538 2HB GLN 73 HB1 GLN 73 -2.363 -2.075 19.560 539 1HG GLN 73 HG2 GLN 73 -3.929 -2.244 22.075 540 2HG GLN 73 HG1 GLN 73 -3.459 -3.789 21.368 541 1HE2 GLN 73 HE22 GLN 73 0.119 -2.800 21.538 542 2HE2 GLN 73 HE21 GLN 73 -0.952 -3.316 20.325 543 H HIS 74 HN HIS 74 -1.991 0.563 19.008 544 HA HIS 74 HA HIS 74 -3.577 1.251 16.565 545 1HB HIS 74 HB2 HIS 74 -1.380 2.688 18.042 546 2HB HIS 74 HB1 HIS 74 -1.724 3.047 16.369 547 HD1 HIS 74 HD1 HIS 74 -2.810 5.314 16.578 548 HD2 HIS 74 HD2 HIS 74 -4.523 2.512 19.144 549 HE1 HIS 74 HE1 HIS 74 -4.827 6.435 17.620 550 H GLU 75 HN GLU 75 -2.374 1.184 14.556 551 HA GLU 75 HA GLU 75 0.241 -0.177 14.557 552 1HB GLU 75 HB2 GLU 75 -2.096 -1.286 12.982 553 2HB GLU 75 HB1 GLU 75 -0.462 -1.944 13.062 554 1HG GLU 75 HG2 GLU 75 -0.874 -2.036 15.628 555 2HG GLU 75 HG1 GLU 75 -2.580 -1.923 15.198 556 H GLY 76 HN GLY 76 0.726 -0.589 12.002 557 1HA GLY 76 HA2 GLY 76 1.346 0.488 10.016 558 2HA GLY 76 HA1 GLY 76 -0.211 1.320 10.104 559 H ARG 77 HN ARG 77 0.655 3.348 9.502 560 HA ARG 77 HA ARG 77 1.621 5.464 9.885 561 1HB ARG 77 HB2 ARG 77 0.239 5.032 12.023 562 2HB ARG 77 HB1 ARG 77 1.785 4.662 12.788 563 1HG ARG 77 HG2 ARG 77 2.593 6.845 12.513 564 2HG ARG 77 HG1 ARG 77 1.451 7.207 11.218 565 1HD ARG 77 HD2 ARG 77 -0.373 7.388 12.731 566 2HD ARG 77 HD1 ARG 77 0.530 6.615 14.033 567 HE ARG 77 HE ARG 77 1.630 9.169 13.051 568 1HH1 ARG 77 HH21 ARG 77 2.669 9.164 15.459 569 2HH1 ARG 77 HH22 ARG 77 1.469 9.626 16.620 570 1HH2 ARG 77 HH11 ARG 77 -1.203 9.021 14.496 571 2HH2 ARG 77 HH12 ARG 77 -0.722 9.545 16.075 572 H LEU 78 HN LEU 78 3.390 2.917 9.641 573 HA LEU 78 HA LEU 78 5.769 3.560 11.199 574 1HB LEU 78 HB2 LEU 78 5.344 1.573 8.951 575 2HB LEU 78 HB1 LEU 78 6.775 1.663 9.978 576 HG LEU 78 HG LEU 78 4.188 1.527 11.420 577 1HD1 LEU 78 HD11 LEU 78 4.250 -0.100 9.295 578 2HD1 LEU 78 HD13 LEU 78 5.214 -1.081 10.401 579 3HD1 LEU 78 HD12 LEU 78 3.570 -0.611 10.841 580 1HD2 LEU 78 HD22 LEU 78 6.862 1.258 12.054 581 2HD2 LEU 78 HD21 LEU 78 5.530 0.692 13.060 582 3HD2 LEU 78 HD23 LEU 78 6.338 -0.423 11.958 583 H LEU 79 HN LEU 79 4.477 4.612 8.165 584 HA LEU 79 HA LEU 79 6.849 5.023 6.652 585 1HB LEU 79 HB2 LEU 79 4.318 5.400 6.034 586 2HB LEU 79 HB1 LEU 79 4.613 7.037 6.621 587 HG LEU 79 HG LEU 79 6.673 5.944 4.788 588 1HD1 LEU 79 HD11 LEU 79 3.810 6.401 3.977 589 2HD1 LEU 79 HD13 LEU 79 5.120 6.711 2.838 590 3HD1 LEU 79 HD12 LEU 79 4.899 5.095 3.509 591 1HD2 LEU 79 HD23 LEU 79 5.959 8.430 5.838 592 2HD2 LEU 79 HD22 LEU 79 7.093 8.155 4.517 593 3HD2 LEU 79 HD21 LEU 79 5.404 8.513 4.166 594 H GLN 80 HN GLN 80 8.520 5.732 7.995 595 HA GLN 80 HA GLN 80 8.310 8.562 8.937 596 1HB GLN 80 HB2 GLN 80 9.508 6.178 10.368 597 2HB GLN 80 HB1 GLN 80 9.862 7.844 10.821 598 1HG GLN 80 HG2 GLN 80 7.002 7.503 10.532 599 2HG GLN 80 HG1 GLN 80 7.639 6.275 11.624 600 1HE2 GLN 80 HE22 GLN 80 7.109 9.903 13.096 601 2HE2 GLN 80 HE21 GLN 80 6.299 9.261 11.751 602 H ASP 81 HN ASP 81 10.662 9.304 9.490 603 HA ASP 81 HA ASP 81 12.173 9.139 7.021 604 1HB ASP 81 HB2 ASP 81 12.915 10.480 9.647 605 2HB ASP 81 HB1 ASP 81 13.663 10.754 8.070 606 H LEU 82 HN LEU 82 13.180 7.270 6.691 607 HA LEU 82 HA LEU 82 14.589 5.731 8.745 608 1HB LEU 82 HB2 LEU 82 14.183 5.516 5.761 609 2HB LEU 82 HB1 LEU 82 15.390 4.516 6.544 610 HG LEU 82 HG LEU 82 12.556 4.635 7.572 611 1HD1 LEU 82 HD12 LEU 82 13.667 3.183 5.202 612 2HD1 LEU 82 HD11 LEU 82 12.529 2.321 6.238 613 3HD1 LEU 82 HD13 LEU 82 12.045 3.829 5.461 614 1HD2 LEU 82 HD21 LEU 82 14.985 2.919 7.944 615 2HD2 LEU 82 HD23 LEU 82 13.838 3.507 9.148 616 3HD2 LEU 82 HD22 LEU 82 13.399 2.163 8.093 617 HA PRO 83 HA PRO 83 18.517 7.696 8.195 618 1HB PRO 83 HB2 PRO 83 20.325 5.628 7.936 619 2HB PRO 83 HB1 PRO 83 19.604 6.124 9.477 620 1HG PRO 83 HG2 PRO 83 18.954 3.758 7.770 621 2HG PRO 83 HG1 PRO 83 18.827 3.943 9.528 622 1HD PRO 83 HD2 PRO 83 16.676 4.059 7.756 623 2HD PRO 83 HD1 PRO 83 16.661 4.718 9.401 624 H GLY 84 HN GLY 84 18.285 8.739 6.237 625 1HA GLY 84 HA2 GLY 84 19.409 9.185 4.131 626 2HA GLY 84 HA1 GLY 84 19.552 7.446 3.865 627 H CYS 85 HN CYS 85 16.407 7.979 5.025 628 HA CYS 85 HA CYS 85 15.301 8.568 2.324 629 1HB CYS 85 HB2 CYS 85 14.111 6.350 3.975 630 2HB CYS 85 HB1 CYS 85 13.955 6.644 2.248 631 HA PRO 86 HA PRO 86 13.083 10.879 5.649 632 1HB PRO 86 HB2 PRO 86 12.449 13.059 4.069 633 2HB PRO 86 HB1 PRO 86 13.935 12.918 4.998 634 1HG PRO 86 HG2 PRO 86 13.518 12.603 2.071 635 2HG PRO 86 HG1 PRO 86 14.973 13.110 2.944 636 1HD PRO 86 HD2 PRO 86 14.557 10.573 1.841 637 2HD PRO 86 HD1 PRO 86 15.774 10.957 3.074 638 H ARG 87 HN ARG 87 10.778 11.608 5.784 639 HA ARG 87 HA ARG 87 8.845 9.910 4.735 640 1HB ARG 87 HB2 ARG 87 8.541 12.864 5.348 641 2HB ARG 87 HB1 ARG 87 7.231 11.698 5.247 642 1HG ARG 87 HG2 ARG 87 9.203 10.667 7.046 643 2HG ARG 87 HG1 ARG 87 8.866 12.338 7.493 644 1HD ARG 87 HD2 ARG 87 6.774 10.178 7.091 645 2HD ARG 87 HD1 ARG 87 7.329 10.787 8.651 646 HE ARG 87 HE ARG 87 5.719 12.338 6.680 647 1HH1 ARG 87 HH21 ARG 87 7.705 13.835 8.510 648 2HH1 ARG 87 HH22 ARG 87 6.646 14.317 9.794 649 1HH2 ARG 87 HH11 ARG 87 4.115 12.131 8.880 650 2HH2 ARG 87 HH12 ARG 87 4.613 13.351 10.004 651 H GLN 88 HN GLN 88 10.351 12.736 3.309 652 HA GLN 88 HA GLN 88 8.486 13.374 1.267 653 1HB GLN 88 HB2 GLN 88 11.263 13.999 1.894 654 2HB GLN 88 HB1 GLN 88 10.994 13.919 0.155 655 1HG GLN 88 HG2 GLN 88 10.552 16.185 0.878 656 2HG GLN 88 HG1 GLN 88 9.011 15.435 0.460 657 1HE2 GLN 88 HE22 GLN 88 7.775 16.360 3.625 658 2HE2 GLN 88 HE21 GLN 88 7.555 16.362 1.942 659 H VAL 89 HN VAL 89 11.268 11.094 1.052 660 HA VAL 89 HA VAL 89 10.848 10.451 -1.709 661 HB VAL 89 HB VAL 89 12.227 8.890 0.485 662 1HG1 VAL 89 HG13 VAL 89 12.201 8.706 -2.526 663 2HG1 VAL 89 HG12 VAL 89 13.585 8.133 -1.593 664 3HG1 VAL 89 HG11 VAL 89 11.995 7.409 -1.349 665 1HG2 VAL 89 HG22 VAL 89 12.971 11.251 0.143 666 2HG2 VAL 89 HG21 VAL 89 14.214 10.045 -0.183 667 3HG2 VAL 89 HG23 VAL 89 13.367 10.824 -1.519 668 H GLN 90 HN GLN 90 9.806 8.973 1.329 669 HA GLN 90 HA GLN 90 8.557 6.656 0.165 670 1HB GLN 90 HB2 GLN 90 8.539 8.017 2.801 671 2HB GLN 90 HB1 GLN 90 7.099 7.066 2.433 672 1HG GLN 90 HG2 GLN 90 8.675 5.600 3.526 673 2HG GLN 90 HG1 GLN 90 8.622 5.150 1.821 674 1HE2 GLN 90 HE22 GLN 90 12.003 6.951 3.308 675 2HE2 GLN 90 HE21 GLN 90 10.546 7.071 4.171 676 H ARG 91 HN ARG 91 7.580 9.989 0.548 677 HA ARG 91 HA ARG 91 4.749 9.508 0.014 678 1HB ARG 91 HB2 ARG 91 6.235 11.640 1.041 679 2HB ARG 91 HB1 ARG 91 5.676 12.228 -0.524 680 1HG ARG 91 HG2 ARG 91 3.690 12.666 0.464 681 2HG ARG 91 HG1 ARG 91 3.443 10.923 0.560 682 1HD ARG 91 HD2 ARG 91 4.908 11.111 2.733 683 2HD ARG 91 HD1 ARG 91 4.445 12.811 2.675 684 HE ARG 91 HE ARG 91 2.396 10.627 2.725 685 1HH1 ARG 91 HH21 ARG 91 1.574 13.513 2.377 686 2HH1 ARG 91 HH22 ARG 91 1.187 13.965 4.003 687 1HH2 ARG 91 HH11 ARG 91 2.812 11.256 5.430 688 2HH2 ARG 91 HH12 ARG 91 1.888 12.689 5.731 689 H ALA 92 HN ALA 92 7.609 10.376 -1.887 690 HA ALA 92 HA ALA 92 6.202 11.066 -4.313 691 1HB ALA 92 HB3 ALA 92 9.030 10.404 -3.583 692 2HB ALA 92 HB2 ALA 92 8.575 10.374 -5.286 693 3HB ALA 92 HB1 ALA 92 8.383 11.856 -4.347 694 H PHE 93 HN PHE 93 7.777 8.084 -3.181 695 HA PHE 93 HA PHE 93 7.005 6.529 -5.525 696 1HB PHE 93 HB2 PHE 93 9.048 5.958 -4.334 697 2HB PHE 93 HB1 PHE 93 8.149 5.743 -2.835 698 HD1 PHE 93 HD2 PHE 93 6.638 3.809 -2.524 699 HD2 PHE 93 HD1 PHE 93 9.004 4.272 -6.079 700 HE1 PHE 93 HE2 PHE 93 6.214 1.439 -3.115 701 HE2 PHE 93 HE1 PHE 93 8.579 1.901 -6.672 702 HZ PHE 93 HZ PHE 93 7.184 0.483 -5.191 703 H ALA 94 HN ALA 94 5.613 7.209 -2.392 704 HA ALA 94 HA ALA 94 4.019 5.083 -1.769 705 1HB ALA 94 HB3 ALA 94 4.065 7.817 -1.117 706 2HB ALA 94 HB2 ALA 94 2.398 7.479 -1.580 707 3HB ALA 94 HB1 ALA 94 3.163 6.546 -0.294 708 HA PRO 95 HA PRO 95 0.531 6.283 -4.818 709 1HB PRO 95 HB2 PRO 95 1.113 8.086 -6.815 710 2HB PRO 95 HB1 PRO 95 0.390 8.529 -5.259 711 1HG PRO 95 HG2 PRO 95 3.191 8.916 -6.208 712 2HG PRO 95 HG1 PRO 95 2.262 9.862 -5.031 713 1HD PRO 95 HD2 PRO 95 4.227 7.960 -4.400 714 2HD PRO 95 HD1 PRO 95 3.034 8.601 -3.262 715 H LYS 96 HN LYS 96 0.356 6.155 -7.488 716 HA LYS 96 HA LYS 96 0.856 4.847 -9.370 717 1HB LYS 96 HB2 LYS 96 3.695 4.737 -8.314 718 2HB LYS 96 HB1 LYS 96 3.160 4.526 -9.981 719 1HG LYS 96 HG2 LYS 96 2.118 6.974 -9.470 720 2HG LYS 96 HG1 LYS 96 3.528 7.021 -8.412 721 1HD LYS 96 HD2 LYS 96 5.003 7.035 -10.156 722 2HD LYS 96 HD1 LYS 96 4.014 5.951 -11.135 723 1HE LYS 96 HE2 LYS 96 2.413 7.866 -11.493 724 2HE LYS 96 HE1 LYS 96 3.582 8.919 -10.697 725 1HZ LYS 96 HZ1 LYS 96 5.227 8.043 -12.383 726 2HZ LYS 96 HZ3 LYS 96 3.895 7.420 -13.228 727 3HZ LYS 96 HZ2 LYS 96 4.029 9.094 -12.972 728 H LEU 97 HN LEU 97 0.420 3.745 -6.473 729 HA LEU 97 HA LEU 97 1.717 1.145 -6.438 730 1HB LEU 97 HB2 LEU 97 0.102 2.710 -4.671 731 2HB LEU 97 HB1 LEU 97 -0.686 1.144 -4.860 732 HG LEU 97 HG LEU 97 2.253 1.038 -4.509 733 1HD1 LEU 97 HD11 LEU 97 0.738 2.711 -2.771 734 2HD1 LEU 97 HD13 LEU 97 1.091 1.230 -1.881 735 3HD1 LEU 97 HD12 LEU 97 2.406 2.175 -2.574 736 1HD2 LEU 97 HD23 LEU 97 0.254 -0.781 -4.504 737 2HD2 LEU 97 HD22 LEU 97 1.758 -1.018 -3.613 738 3HD2 LEU 97 HD21 LEU 97 0.323 -0.425 -2.777 739 H VAL 98 HN VAL 98 -1.834 1.682 -6.442 740 HA VAL 98 HA VAL 98 -2.397 -0.803 -7.737 741 HB VAL 98 HB VAL 98 -4.663 0.257 -8.148 742 1HG1 VAL 98 HG11 VAL 98 -3.825 -0.988 -6.065 743 2HG1 VAL 98 HG13 VAL 98 -3.767 0.608 -5.316 744 3HG1 VAL 98 HG12 VAL 98 -5.298 -0.028 -5.921 745 1HG2 VAL 98 HG23 VAL 98 -3.533 2.617 -8.142 746 2HG2 VAL 98 HG22 VAL 98 -5.135 2.432 -7.430 747 3HG2 VAL 98 HG21 VAL 98 -3.710 2.496 -6.391 748 H THR 99 HN THR 99 -0.950 1.790 -9.185 749 HA THR 99 HA THR 99 -2.384 1.621 -11.730 750 HB THR 99 HB THR 99 -0.939 3.400 -12.493 751 HG1 THR 99 HG1 THR 99 0.930 3.939 -11.389 752 1HG2 THR 99 HG21 THR 99 -2.588 3.808 -10.502 753 2HG2 THR 99 HG23 THR 99 -1.104 4.059 -9.583 754 3HG2 THR 99 HG22 THR 99 -1.456 5.074 -10.981 755 H GLU 100 HN GLU 100 -0.800 1.312 -13.776 756 HA GLU 100 HA GLU 100 0.199 -1.352 -13.647 757 1HB GLU 100 HB2 GLU 100 0.917 0.849 -15.605 758 2HB GLU 100 HB1 GLU 100 1.168 -0.878 -15.859 759 1HG GLU 100 HG2 GLU 100 -1.583 -0.314 -15.063 760 2HG GLU 100 HG1 GLU 100 -1.138 0.585 -16.511 761 H VAL 101 HN VAL 101 1.707 1.302 -12.077 762 HA VAL 101 HA VAL 101 4.441 0.480 -12.763 763 HB VAL 101 HB VAL 101 3.533 2.552 -10.743 764 1HG1 VAL 101 HG13 VAL 101 6.132 1.621 -11.841 765 2HG1 VAL 101 HG12 VAL 101 5.932 3.367 -11.696 766 3HG1 VAL 101 HG11 VAL 101 5.764 2.339 -10.273 767 1HG2 VAL 101 HG23 VAL 101 3.864 2.627 -13.725 768 2HG2 VAL 101 HG22 VAL 101 2.664 3.431 -12.714 769 3HG2 VAL 101 HG21 VAL 101 4.314 4.050 -12.785 770 H GLU 102 HN GLU 102 2.104 -0.686 -10.584 771 HA GLU 102 HA GLU 102 4.314 -1.885 -8.993 772 1HB GLU 102 HB2 GLU 102 3.057 0.188 -7.868 773 2HB GLU 102 HB1 GLU 102 1.959 -1.092 -7.365 774 1HG GLU 102 HG2 GLU 102 3.481 -2.046 -5.970 775 2HG GLU 102 HG1 GLU 102 4.825 -1.744 -7.070 776 H CYS 103 HN CYS 103 0.755 -2.175 -8.319 777 HA CYS 103 HA CYS 103 0.867 -4.964 -9.391 778 1HB CYS 103 HB2 CYS 103 0.299 -4.199 -6.510 779 2HB CYS 103 HB1 CYS 103 -0.108 -5.771 -7.195 780 H ASN 104 HN ASN 104 -0.545 -2.680 -10.415 781 HA ASN 104 HA ASN 104 -3.034 -2.000 -9.639 782 1HB ASN 104 HB2 ASN 104 -3.697 -1.959 -12.085 783 2HB ASN 104 HB1 ASN 104 -2.200 -1.130 -11.688 784 1HD2 ASN 104 HD22 ASN 104 -2.015 -3.848 -14.525 785 2HD2 ASN 104 HD21 ASN 104 -3.393 -2.961 -14.080 786 H LEU 105 HN LEU 105 -2.689 -4.973 -11.676 787 HA LEU 105 HA LEU 105 -4.228 -6.742 -11.957 788 1HB LEU 105 HB2 LEU 105 -4.192 -6.268 -8.973 789 2HB LEU 105 HB1 LEU 105 -5.032 -7.638 -9.701 790 HG LEU 105 HG LEU 105 -2.102 -7.011 -10.163 791 1HD1 LEU 105 HD12 LEU 105 -3.423 -8.988 -8.278 792 2HD1 LEU 105 HD11 LEU 105 -1.701 -8.959 -8.653 793 3HD1 LEU 105 HD13 LEU 105 -2.444 -7.596 -7.818 794 1HD2 LEU 105 HD22 LEU 105 -4.026 -9.115 -11.070 795 2HD2 LEU 105 HD21 LEU 105 -2.691 -8.364 -11.945 796 3HD2 LEU 105 HD23 LEU 105 -2.365 -9.609 -10.738 797 H ALA 106 HN ALA 106 -5.444 -3.909 -12.039 798 HA ALA 106 HA ALA 106 -7.564 -2.970 -12.309 799 1HB ALA 106 HB2 ALA 106 -7.947 -5.209 -13.470 800 2HB ALA 106 HB1 ALA 106 -8.648 -5.778 -11.954 801 3HB ALA 106 HB3 ALA 106 -9.392 -4.435 -12.820 802 H THR 107 HN THR 107 -9.074 -2.045 -10.943 803 HA THR 107 HA THR 107 -9.094 -3.022 -8.110 804 HB THR 107 HB THR 107 -9.175 -0.773 -7.373 805 HG1 THR 107 HG1 THR 107 -10.011 -0.127 -10.013 806 1HG2 THR 107 HG21 THR 107 -7.064 -1.393 -8.678 807 2HG2 THR 107 HG23 THR 107 -7.713 -0.385 -9.971 808 3HG2 THR 107 HG22 THR 107 -7.361 0.321 -8.394 809 H ILE 108 HN ILE 108 -11.309 -1.434 -7.257 810 HA ILE 108 HA ILE 108 -13.564 -3.044 -8.064 811 HB ILE 108 HB ILE 108 -13.438 -1.937 -5.845 812 1HG1 ILE 108 HG12 ILE 108 -15.756 -0.532 -6.305 813 2HG1 ILE 108 HG11 ILE 108 -15.703 -1.583 -7.718 814 1HG2 ILE 108 HG22 ILE 108 -13.725 0.630 -7.442 815 2HG2 ILE 108 HG21 ILE 108 -13.783 0.513 -5.684 816 3HG2 ILE 108 HG23 ILE 108 -12.293 0.129 -6.545 817 1HD1 ILE 108 HD11 ILE 108 -15.412 -2.539 -4.857 818 2HD1 ILE 108 HD13 ILE 108 -16.904 -2.621 -5.793 819 3HD1 ILE 108 HD12 ILE 108 -15.495 -3.554 -6.297 820 H HIS 109 HN HIS 109 -12.247 0.051 -9.027 821 HA HIS 109 HA HIS 109 -14.443 0.999 -10.615 822 1HB HIS 109 HB2 HIS 109 -11.487 1.635 -10.563 823 2HB HIS 109 HB1 HIS 109 -12.659 2.524 -11.539 824 HD1 HIS 109 HD1 HIS 109 -14.553 3.824 -10.215 825 HD2 HIS 109 HD2 HIS 109 -11.522 2.242 -7.831 826 HE1 HIS 109 HE1 HIS 109 -14.772 4.925 -7.949 827 H GLY 110 HN GLY 110 -12.513 -1.700 -11.240 828 1HA GLY 110 HA2 GLY 110 -12.083 -2.949 -13.166 829 2HA GLY 110 HA1 GLY 110 -13.456 -2.098 -13.877 830 H GLY 111 HN GLY 111 -10.629 -0.423 -12.652 831 1HA GLY 111 HA2 GLY 111 -9.389 -0.126 -15.293 832 2HA GLY 111 HA1 GLY 111 -10.151 1.340 -14.674 833 HA PRO 112 HA PRO 112 -5.844 0.749 -12.808 834 1HB PRO 112 HB2 PRO 112 -4.459 2.541 -14.390 835 2HB PRO 112 HB1 PRO 112 -4.556 0.802 -14.708 836 1HG PRO 112 HG2 PRO 112 -5.892 3.060 -16.105 837 2HG PRO 112 HG1 PRO 112 -5.535 1.432 -16.702 838 1HD PRO 112 HD2 PRO 112 -8.061 2.389 -15.809 839 2HD PRO 112 HD1 PRO 112 -7.637 0.706 -16.183 840 H PHE 113 HN PHE 113 -7.359 1.971 -11.232 841 HA PHE 113 HA PHE 113 -6.100 4.243 -10.194 842 1HB PHE 113 HB2 PHE 113 -7.651 6.091 -10.711 843 2HB PHE 113 HB1 PHE 113 -6.859 5.503 -12.161 844 HD1 PHE 113 HD2 PHE 113 -10.036 5.545 -10.251 845 HD2 PHE 113 HD1 PHE 113 -8.107 4.410 -13.918 846 HE1 PHE 113 HE2 PHE 113 -12.251 5.182 -11.305 847 HE2 PHE 113 HE1 PHE 113 -10.322 4.052 -14.974 848 HZ PHE 113 HZ PHE 113 -12.396 4.446 -13.674 849 H CYS 114 HN CYS 114 -7.331 5.258 -8.383 850 HA CYS 114 HA CYS 114 -9.888 4.102 -7.591 851 1HB CYS 114 HB2 CYS 114 -9.153 2.931 -5.625 852 2HB CYS 114 HB1 CYS 114 -8.152 2.347 -6.949 853 H LEU 115 HN LEU 115 -10.700 5.195 -5.577 854 HA LEU 115 HA LEU 115 -11.086 7.176 -4.370 855 1HB LEU 115 HB2 LEU 115 -8.089 6.843 -4.195 856 2HB LEU 115 HB1 LEU 115 -8.921 8.169 -3.382 857 HG LEU 115 HG LEU 115 -10.064 5.449 -2.995 858 1HD1 LEU 115 HD11 LEU 115 -7.541 5.194 -2.834 859 2HD1 LEU 115 HD13 LEU 115 -7.588 6.338 -1.493 860 3HD1 LEU 115 HD12 LEU 115 -8.425 4.792 -1.362 861 1HD2 LEU 115 HD23 LEU 115 -9.604 7.945 -1.349 862 2HD2 LEU 115 HD22 LEU 115 -11.141 7.238 -1.849 863 3HD2 LEU 115 HD21 LEU 115 -10.161 6.438 -0.619 864 H SER 116 HN SER 116 -10.079 9.610 -4.214 865 HA SER 116 HA SER 116 -10.063 11.665 -5.364 866 1HB SER 116 HB2 SER 116 -8.241 11.703 -7.173 867 2HB SER 116 HB1 SER 116 -7.741 11.259 -5.545 868 HG SER 116 HG SER 116 -7.915 9.736 -7.859 869 H LEU 117 HN LEU 117 -11.996 9.511 -6.414 870 HA LEU 117 HA LEU 117 -12.134 9.662 -9.260 871 1HB LEU 117 HB2 LEU 117 -13.811 8.725 -7.024 872 2HB LEU 117 HB1 LEU 117 -14.751 9.267 -8.405 873 HG LEU 117 HG LEU 117 -14.239 6.869 -8.595 874 1HD1 LEU 117 HD11 LEU 117 -14.081 8.646 -10.589 875 2HD1 LEU 117 HD13 LEU 117 -12.414 8.068 -10.630 876 3HD1 LEU 117 HD12 LEU 117 -13.747 6.934 -10.844 877 1HD2 LEU 117 HD21 LEU 117 -11.992 7.258 -7.294 878 2HD2 LEU 117 HD23 LEU 117 -12.069 5.989 -8.516 879 3HD2 LEU 117 HD22 LEU 117 -11.320 7.540 -8.899 880 H LEU 118 HN LEU 118 -14.946 10.633 -9.577 881 HA LEU 118 HA LEU 118 -14.579 13.250 -10.340 882 1HB LEU 118 HB2 LEU 118 -17.044 11.760 -9.485 883 2HB LEU 118 HB1 LEU 118 -17.132 13.482 -9.835 884 HG LEU 118 HG LEU 118 -15.863 11.482 -11.712 885 1HD1 LEU 118 HD11 LEU 118 -18.417 11.210 -11.103 886 2HD1 LEU 118 HD13 LEU 118 -18.605 12.616 -12.152 887 3HD1 LEU 118 HD12 LEU 118 -17.897 11.131 -12.786 888 1HD2 LEU 118 HD21 LEU 118 -16.332 14.391 -11.688 889 2HD2 LEU 118 HD23 LEU 118 -15.204 13.441 -12.656 890 3HD2 LEU 118 HD22 LEU 118 -16.883 13.604 -13.168 891 H GLY 119 HN GLY 119 -14.853 12.259 -6.982 892 1HA GLY 119 HA2 GLY 119 -14.116 13.813 -5.251 893 2HA GLY 119 HA1 GLY 119 -14.782 15.133 -6.212 894 H ALA 120 HN ALA 120 -15.822 12.142 -4.566 895 HA ALA 120 HA ALA 120 -17.762 11.641 -3.351 896 1HB ALA 120 HB3 ALA 120 -16.963 13.499 -1.952 897 2HB ALA 120 HB2 ALA 120 -17.797 14.651 -2.996 898 3HB ALA 120 HB1 ALA 120 -18.725 13.495 -2.038 899 H GLY 121 HN GLY 121 -18.526 11.133 -5.637 900 1HA GLY 121 HA2 GLY 121 -20.722 12.934 -6.539 901 2HA GLY 121 HA1 GLY 121 -19.983 11.668 -7.522 902 H GLU 122 HN GLU 122 -20.760 11.064 -4.168 903 HA GLU 122 HA GLU 122 -22.720 9.002 -5.006 904 1HB GLU 122 HB2 GLU 122 -20.840 9.351 -2.801 905 2HB GLU 122 HB1 GLU 122 -22.447 8.931 -2.208 906 1HG GLU 122 HG2 GLU 122 -22.509 6.927 -3.495 907 2HG GLU 122 HG1 GLU 122 -21.121 7.417 -4.465 No H/Q in entry = 907 Start of MODEL 2 Raw file had 930 H/Q atoms Start of MODEL 2 1 1H SER 1 HT3 SER 1 -30.933 -8.082 5.596 2 2H SER 1 HT2 SER 1 -29.668 -8.423 4.514 3 3H SER 1 HT1 SER 1 -30.409 -9.681 5.384 4 HA SER 1 HA SER 1 -29.549 -8.839 7.452 5 1HB SER 1 HB2 SER 1 -28.148 -10.263 5.751 6 2HB SER 1 HB1 SER 1 -27.221 -8.779 5.548 7 HG SER 1 HG SER 1 -26.524 -10.291 7.254 8 H VAL 2 HN VAL 2 -28.270 -7.235 8.556 9 HA VAL 2 HA VAL 2 -28.820 -4.559 8.071 10 HB VAL 2 HB VAL 2 -26.847 -4.027 9.497 11 1HG1 VAL 2 HG12 VAL 2 -28.974 -4.769 10.513 12 2HG1 VAL 2 HG11 VAL 2 -28.450 -6.447 10.379 13 3HG1 VAL 2 HG13 VAL 2 -27.593 -5.338 11.450 14 1HG2 VAL 2 HG23 VAL 2 -26.235 -6.904 8.856 15 2HG2 VAL 2 HG22 VAL 2 -25.152 -5.512 8.846 16 3HG2 VAL 2 HG21 VAL 2 -25.686 -6.203 10.377 17 H GLY 3 HN GLY 3 -25.916 -6.310 6.895 18 1HA GLY 3 HA2 GLY 3 -25.553 -5.307 4.421 19 2HA GLY 3 HA1 GLY 3 -25.011 -3.939 5.394 20 H THR 4 HN THR 4 -22.987 -4.680 4.006 21 HA THR 4 HA THR 4 -21.214 -6.150 5.848 22 HB THR 4 HB THR 4 -22.050 -7.967 4.461 23 HG1 THR 4 HG1 THR 4 -19.769 -7.832 4.893 24 1HG2 THR 4 HG21 THR 4 -21.551 -5.982 2.275 25 2HG2 THR 4 HG23 THR 4 -21.422 -7.702 1.908 26 3HG2 THR 4 HG22 THR 4 -22.937 -7.044 2.526 27 H SER 5 HN SER 5 -21.096 -3.501 5.464 28 HA SER 5 HA SER 5 -19.603 -2.469 3.278 29 1HB SER 5 HB2 SER 5 -19.039 -0.606 4.792 30 2HB SER 5 HB1 SER 5 -20.737 -1.046 4.947 31 HG SER 5 HG SER 5 -18.632 -1.327 6.731 32 H CYS 6 HN CYS 6 -17.295 -1.326 4.155 33 HA CYS 6 HA CYS 6 -15.468 -3.622 4.294 34 1HB CYS 6 HB2 CYS 6 -15.110 -0.651 3.918 35 2HB CYS 6 HB1 CYS 6 -13.728 -1.707 4.211 36 H ILE 7 HN ILE 7 -14.816 -4.434 6.199 37 HA ILE 7 HA ILE 7 -14.611 -2.619 8.563 38 HB ILE 7 HB ILE 7 -16.477 -4.226 8.765 39 1HG1 ILE 7 HG12 ILE 7 -15.488 -5.515 10.827 40 2HG1 ILE 7 HG11 ILE 7 -14.063 -4.522 10.531 41 1HG2 ILE 7 HG22 ILE 7 -14.679 -5.980 7.466 42 2HG2 ILE 7 HG21 ILE 7 -14.938 -6.659 9.071 43 3HG2 ILE 7 HG23 ILE 7 -16.314 -6.338 8.014 44 1HD1 ILE 7 HD11 ILE 7 -15.994 -2.624 10.362 45 2HD1 ILE 7 HD13 ILE 7 -16.753 -3.731 11.506 46 3HD1 ILE 7 HD12 ILE 7 -15.176 -3.031 11.870 47 HA PRO 8 HA PRO 8 -10.362 -3.981 8.392 48 1HB PRO 8 HB2 PRO 8 -9.515 -3.055 10.843 49 2HB PRO 8 HB1 PRO 8 -9.738 -2.021 9.422 50 1HG PRO 8 HG2 PRO 8 -11.456 -2.277 11.844 51 2HG PRO 8 HG1 PRO 8 -11.251 -0.896 10.753 52 1HD PRO 8 HD2 PRO 8 -13.435 -2.681 10.758 53 2HD PRO 8 HD1 PRO 8 -13.034 -1.531 9.466 54 H GLY 9 HN GLY 9 -8.885 -5.533 9.508 55 1HA GLY 9 HA2 GLY 9 -8.375 -7.393 10.852 56 2HA GLY 9 HA1 GLY 9 -9.795 -7.038 11.829 57 H MET 10 HN MET 10 -10.810 -7.115 8.641 58 HA MET 10 HA MET 10 -11.348 -10.048 8.662 59 1HB MET 10 HB2 MET 10 -13.310 -7.795 8.149 60 2HB MET 10 HB1 MET 10 -13.643 -9.488 7.781 61 1HG MET 10 HG2 MET 10 -12.699 -8.723 10.530 62 2HG MET 10 HG1 MET 10 -14.396 -8.508 10.096 63 1HE MET 10 HE2 MET 10 -15.229 -9.757 11.723 64 2HE MET 10 HE1 MET 10 -16.143 -10.645 10.507 65 3HE MET 10 HE3 MET 10 -15.341 -11.512 11.823 66 H ALA 11 HN ALA 11 -9.998 -10.588 6.771 67 HA ALA 11 HA ALA 11 -9.641 -10.798 4.450 68 1HB ALA 11 HB3 ALA 11 -11.998 -9.503 4.262 69 2HB ALA 11 HB2 ALA 11 -10.930 -8.202 3.736 70 3HB ALA 11 HB1 ALA 11 -10.940 -9.738 2.870 71 H ILE 12 HN ILE 12 -9.685 -7.382 5.507 72 HA ILE 12 HA ILE 12 -6.937 -7.022 4.457 73 HB ILE 12 HB ILE 12 -8.858 -4.942 5.544 74 1HG1 ILE 12 HG12 ILE 12 -8.250 -5.602 2.648 75 2HG1 ILE 12 HG11 ILE 12 -9.687 -6.172 3.497 76 1HG2 ILE 12 HG22 ILE 12 -6.156 -4.888 4.241 77 2HG2 ILE 12 HG21 ILE 12 -7.270 -3.551 3.954 78 3HG2 ILE 12 HG23 ILE 12 -6.760 -3.938 5.598 79 1HD1 ILE 12 HD12 ILE 12 -10.231 -3.771 4.032 80 2HD1 ILE 12 HD11 ILE 12 -8.900 -3.293 2.978 81 3HD1 ILE 12 HD13 ILE 12 -10.288 -4.153 2.311 82 HA PRO 13 HA PRO 13 -6.236 -7.567 8.941 83 1HB PRO 13 HB2 PRO 13 -3.644 -8.458 8.770 84 2HB PRO 13 HB1 PRO 13 -5.066 -9.495 8.584 85 1HG PRO 13 HG2 PRO 13 -3.163 -8.564 6.518 86 2HG PRO 13 HG1 PRO 13 -4.289 -9.928 6.464 87 1HD PRO 13 HD2 PRO 13 -4.597 -7.344 5.258 88 2HD PRO 13 HD1 PRO 13 -5.769 -8.685 5.242 89 H HIS 14 HN HIS 14 -4.434 -6.795 10.462 90 HA HIS 14 HA HIS 14 -3.930 -3.995 9.995 91 1HB HIS 14 HB2 HIS 14 -2.934 -5.851 12.196 92 2HB HIS 14 HB1 HIS 14 -2.991 -4.109 12.256 93 HD1 HIS 14 HD1 HIS 14 -5.092 -3.072 13.187 94 HD2 HIS 14 HD2 HIS 14 -5.662 -7.026 12.010 95 HE1 HIS 14 HE1 HIS 14 -7.428 -3.726 13.966 96 H ASN 15 HN ASN 15 -1.803 -3.009 9.675 97 HA ASN 15 HA ASN 15 0.427 -2.849 9.027 98 1HB ASN 15 HB2 ASN 15 0.639 -4.437 11.056 99 2HB ASN 15 HB1 ASN 15 0.819 -5.721 9.861 100 1HD2 ASN 15 HD22 ASN 15 4.107 -3.845 10.799 101 2HD2 ASN 15 HD21 ASN 15 2.783 -4.184 11.807 102 HA PRO 16 HA PRO 16 -0.436 -5.428 5.196 103 1HB PRO 16 HB2 PRO 16 -1.638 -3.531 3.633 104 2HB PRO 16 HB1 PRO 16 -2.548 -4.611 4.704 105 1HG PRO 16 HG2 PRO 16 -1.948 -1.713 5.037 106 2HG PRO 16 HG1 PRO 16 -3.289 -2.663 5.695 107 1HD PRO 16 HD2 PRO 16 -0.951 -1.850 7.101 108 2HD PRO 16 HD1 PRO 16 -2.183 -3.005 7.647 109 H LEU 17 HN LEU 17 0.384 -4.905 2.956 110 HA LEU 17 HA LEU 17 2.209 -4.317 1.617 111 1HB LEU 17 HB2 LEU 17 1.448 -1.563 2.627 112 2HB LEU 17 HB1 LEU 17 2.269 -1.937 1.111 113 HG LEU 17 HG LEU 17 -0.461 -3.043 1.806 114 1HD1 LEU 17 HD13 LEU 17 -0.529 -0.562 1.752 115 2HD1 LEU 17 HD12 LEU 17 0.210 -0.591 0.150 116 3HD1 LEU 17 HD11 LEU 17 -1.399 -1.271 0.392 117 1HD2 LEU 17 HD22 LEU 17 1.277 -3.884 -0.076 118 2HD2 LEU 17 HD21 LEU 17 -0.467 -3.898 -0.331 119 3HD2 LEU 17 HD23 LEU 17 0.507 -2.576 -0.973 120 H ASP 18 HN ASP 18 3.227 -5.232 4.032 121 HA ASP 18 HA ASP 18 5.130 -3.320 5.160 122 1HB ASP 18 HB2 ASP 18 6.090 -5.317 6.315 123 2HB ASP 18 HB1 ASP 18 4.348 -5.164 6.555 124 H SER 19 HN SER 19 5.278 -6.000 2.878 125 HA SER 19 HA SER 19 8.097 -5.899 2.351 126 1HB SER 19 HB2 SER 19 6.196 -7.646 1.641 127 2HB SER 19 HB1 SER 19 6.194 -6.669 0.175 128 HG SER 19 HG SER 19 7.724 -8.494 0.281 129 H CYS 20 HN CYS 20 5.366 -4.003 1.286 130 HA CYS 20 HA CYS 20 6.670 -2.782 -0.994 131 1HB CYS 20 HB2 CYS 20 4.318 -1.737 0.593 132 2HB CYS 20 HB1 CYS 20 4.746 -1.333 -1.070 133 H ARG 21 HN ARG 21 6.318 -2.027 2.447 134 HA ARG 21 HA ARG 21 7.361 0.635 2.251 135 1HB ARG 21 HB2 ARG 21 6.071 0.229 4.174 136 2HB ARG 21 HB1 ARG 21 6.936 -1.231 4.600 137 1HG ARG 21 HG2 ARG 21 8.759 1.036 4.493 138 2HG ARG 21 HG1 ARG 21 7.401 1.383 5.558 139 1HD ARG 21 HD2 ARG 21 7.824 -0.913 6.609 140 2HD ARG 21 HD1 ARG 21 9.355 -0.917 5.733 141 HE ARG 21 HE ARG 21 9.845 1.263 6.985 142 1HH1 ARG 21 HH11 ARG 21 8.742 -1.597 8.352 143 2HH1 ARG 21 HH12 ARG 21 8.408 -0.928 9.913 144 1HH2 ARG 21 HH21 ARG 21 8.925 2.352 8.917 145 2HH2 ARG 21 HH22 ARG 21 8.511 1.306 10.234 146 H TRP 22 HN TRP 22 8.967 -2.527 3.063 147 HA TRP 22 HA TRP 22 11.564 -1.253 3.308 148 1HB TRP 22 HB2 TRP 22 10.773 -4.138 3.076 149 2HB TRP 22 HB1 TRP 22 12.447 -3.640 2.941 150 HD1 TRP 22 HD1 TRP 22 10.183 -4.730 5.447 151 HE1 TRP 22 HE1 TRP 22 10.912 -3.940 7.806 152 HE3 TRP 22 HE3 TRP 22 13.481 -1.269 4.063 153 HZ2 TRP 22 HZ2 TRP 22 12.749 -1.999 8.927 154 HZ3 TRP 22 HZ3 TRP 22 14.758 0.089 5.741 155 HH2 TRP 22 HH2 TRP 22 14.388 -0.282 8.173 156 H TYR 23 HN TYR 23 9.684 -2.600 0.691 157 HA TYR 23 HA TYR 23 11.794 -2.852 -1.228 158 1HB TYR 23 HB2 TYR 23 9.552 -3.895 -1.511 159 2HB TYR 23 HB1 TYR 23 8.861 -2.291 -1.771 160 HD1 TYR 23 HD1 TYR 23 11.850 -4.246 -2.961 161 HD2 TYR 23 HD2 TYR 23 8.555 -1.692 -3.996 162 HE1 TYR 23 HE1 TYR 23 12.527 -4.339 -5.343 163 HE2 TYR 23 HE2 TYR 23 9.234 -1.783 -6.379 164 HH TYR 23 HH TYR 23 11.477 -4.034 -7.565 165 H VAL 24 HN VAL 24 9.807 -0.125 -0.124 166 HA VAL 24 HA VAL 24 10.685 1.679 -2.239 167 HB VAL 24 HB VAL 24 9.769 2.423 0.544 168 1HG1 VAL 24 HG13 VAL 24 10.021 3.952 -2.055 169 2HG1 VAL 24 HG12 VAL 24 9.145 4.565 -0.652 170 3HG1 VAL 24 HG11 VAL 24 10.876 4.256 -0.543 171 1HG2 VAL 24 HG21 VAL 24 8.293 1.299 -1.699 172 2HG2 VAL 24 HG23 VAL 24 7.722 1.669 -0.073 173 3HG2 VAL 24 HG22 VAL 24 7.708 2.917 -1.318 174 H SER 25 HN SER 25 11.722 0.884 1.075 175 HA SER 25 HA SER 25 13.759 2.821 1.372 176 1HB SER 25 HB2 SER 25 14.253 0.025 2.331 177 2HB SER 25 HB1 SER 25 14.572 1.553 3.143 178 HG SER 25 HG SER 25 12.294 1.800 3.352 179 H THR 26 HN THR 26 13.867 -0.318 -0.283 180 HA THR 26 HA THR 26 16.707 -0.194 -0.878 181 HB THR 26 HB THR 26 14.521 -1.991 -1.974 182 HG1 THR 26 HG1 THR 26 14.679 -2.621 0.028 183 1HG2 THR 26 HG22 THR 26 17.427 -1.804 -2.512 184 2HG2 THR 26 HG21 THR 26 16.829 -3.422 -2.147 185 3HG2 THR 26 HG23 THR 26 16.143 -2.512 -3.492 186 H ARG 27 HN ARG 27 13.821 0.127 -3.003 187 HA ARG 27 HA ARG 27 15.307 0.686 -5.376 188 1HB ARG 27 HB2 ARG 27 12.705 0.150 -4.926 189 2HB ARG 27 HB1 ARG 27 12.606 1.903 -5.095 190 1HG ARG 27 HG2 ARG 27 12.333 1.047 -7.301 191 2HG ARG 27 HG1 ARG 27 13.997 1.627 -7.229 192 1HD ARG 27 HD2 ARG 27 14.675 -0.746 -6.608 193 2HD ARG 27 HD1 ARG 27 13.032 -1.234 -7.021 194 HE ARG 27 HE ARG 27 14.256 0.285 -9.164 195 1HH1 ARG 27 HH11 ARG 27 12.655 -1.741 -10.191 196 2HH1 ARG 27 HH12 ARG 27 13.699 -3.093 -10.478 197 1HH2 ARG 27 HH21 ARG 27 16.231 -1.915 -8.423 198 2HH2 ARG 27 HH22 ARG 27 15.722 -3.192 -9.477 199 H THR 28 HN THR 28 14.360 2.711 -2.712 200 HA THR 28 HA THR 28 14.892 5.183 -4.219 201 HB THR 28 HB THR 28 13.990 6.339 -2.271 202 HG1 THR 28 HG1 THR 28 14.183 5.459 -0.403 203 1HG2 THR 28 HG21 THR 28 12.476 3.857 -3.075 204 2HG2 THR 28 HG23 THR 28 11.772 5.156 -2.114 205 3HG2 THR 28 HG22 THR 28 12.324 5.476 -3.757 206 H CYS 29 HN CYS 29 16.072 3.925 -1.025 207 HA CYS 29 HA CYS 29 18.507 5.584 -1.401 208 1HB CYS 29 HB2 CYS 29 17.862 4.059 1.105 209 2HB CYS 29 HB1 CYS 29 18.822 5.524 0.921 210 H GLY 30 HN GLY 30 17.740 2.594 -2.292 211 1HA GLY 30 HA2 GLY 30 18.965 0.610 -2.692 212 2HA GLY 30 HA1 GLY 30 20.409 1.611 -2.523 213 H VAL 31 HN VAL 31 18.107 1.480 0.100 214 HA VAL 31 HA VAL 31 20.002 -0.211 1.687 215 HB VAL 31 HB VAL 31 18.194 1.981 2.753 216 1HG1 VAL 31 HG12 VAL 31 20.323 0.193 3.909 217 2HG1 VAL 31 HG11 VAL 31 19.990 1.764 4.635 218 3HG1 VAL 31 HG13 VAL 31 18.714 0.550 4.539 219 1HG2 VAL 31 HG21 VAL 31 20.904 2.063 1.536 220 2HG2 VAL 31 HG23 VAL 31 19.694 3.339 1.678 221 3HG2 VAL 31 HG22 VAL 31 20.721 2.942 3.055 222 H GLY 32 HN GLY 32 18.876 -1.357 3.546 223 1HA GLY 32 HA2 GLY 32 16.452 -1.949 4.319 224 2HA GLY 32 HA1 GLY 32 16.264 -2.382 2.615 225 HA PRO 33 HA PRO 33 18.167 -6.002 5.071 226 1HB PRO 33 HB2 PRO 33 16.270 -7.915 4.425 227 2HB PRO 33 HB1 PRO 33 16.262 -6.962 5.919 228 1HG PRO 33 HG2 PRO 33 14.614 -6.607 3.442 229 2HG PRO 33 HG1 PRO 33 14.176 -6.313 5.135 230 1HD PRO 33 HD2 PRO 33 14.806 -4.311 3.379 231 2HD PRO 33 HD1 PRO 33 15.050 -4.181 5.135 232 H ARG 34 HN ARG 34 18.869 -8.167 3.947 233 HA ARG 34 HA ARG 34 19.573 -7.474 1.162 234 1HB ARG 34 HB2 ARG 34 20.563 -9.700 2.973 235 2HB ARG 34 HB1 ARG 34 21.192 -9.347 1.363 236 1HG ARG 34 HG2 ARG 34 21.274 -6.871 2.629 237 2HG ARG 34 HG1 ARG 34 21.727 -7.993 3.911 238 1HD ARG 34 HD2 ARG 34 23.794 -7.573 2.910 239 2HD ARG 34 HD1 ARG 34 23.285 -9.032 2.061 240 HE ARG 34 HE ARG 34 22.452 -6.552 0.749 241 1HH1 ARG 34 HH11 ARG 34 25.555 -7.167 1.300 242 2HH1 ARG 34 HH12 ARG 34 25.996 -7.671 -0.297 243 1HH2 ARG 34 HH21 ARG 34 22.720 -7.977 -1.392 244 2HH2 ARG 34 HH22 ARG 34 24.392 -8.130 -1.820 245 H LEU 35 HN LEU 35 17.445 -7.853 0.336 246 HA LEU 35 HA LEU 35 16.825 -10.744 -0.133 247 1HB LEU 35 HB2 LEU 35 15.012 -8.376 0.344 248 2HB LEU 35 HB1 LEU 35 14.433 -9.780 -0.548 249 HG LEU 35 HG LEU 35 13.861 -9.964 1.839 250 1HD1 LEU 35 HD11 LEU 35 14.741 -11.950 0.326 251 2HD1 LEU 35 HD13 LEU 35 16.074 -11.948 1.482 252 3HD1 LEU 35 HD12 LEU 35 14.421 -12.202 2.042 253 1HD2 LEU 35 HD22 LEU 35 16.176 -8.676 2.346 254 2HD2 LEU 35 HD21 LEU 35 15.360 -9.671 3.551 255 3HD2 LEU 35 HD23 LEU 35 16.707 -10.335 2.625 256 H ALA 36 HN ALA 36 15.174 -10.642 -2.244 257 HA ALA 36 HA ALA 36 16.814 -9.296 -4.323 258 1HB ALA 36 HB2 ALA 36 16.387 -11.751 -4.520 259 2HB ALA 36 HB1 ALA 36 14.665 -11.403 -4.680 260 3HB ALA 36 HB3 ALA 36 15.797 -10.835 -5.907 261 H THR 37 HN THR 37 15.853 -7.726 -5.730 262 HA THR 37 HA THR 37 13.585 -6.263 -4.787 263 HB THR 37 HB THR 37 13.752 -5.374 -7.303 264 HG1 THR 37 HG1 THR 37 15.162 -6.690 -8.216 265 1HG2 THR 37 HG21 THR 37 14.487 -4.387 -4.971 266 2HG2 THR 37 HG23 THR 37 16.107 -4.775 -5.550 267 3HG2 THR 37 HG22 THR 37 15.085 -3.665 -6.465 268 H GLN 38 HN GLN 38 13.876 -8.329 -7.697 269 HA GLN 38 HA GLN 38 11.230 -8.095 -8.608 270 1HB GLN 38 HB2 GLN 38 13.407 -9.555 -9.388 271 2HB GLN 38 HB1 GLN 38 12.339 -10.830 -8.802 272 1HG GLN 38 HG2 GLN 38 11.407 -8.677 -10.712 273 2HG GLN 38 HG1 GLN 38 12.070 -10.215 -11.263 274 1HE2 GLN 38 HE22 GLN 38 8.227 -10.152 -10.425 275 2HE2 GLN 38 HE21 GLN 38 9.163 -8.828 -10.926 276 H GLU 39 HN GLU 39 12.471 -10.463 -6.265 277 HA GLU 39 HA GLU 39 10.007 -11.837 -5.807 278 1HB GLU 39 HB2 GLU 39 12.384 -11.446 -3.960 279 2HB GLU 39 HB1 GLU 39 11.089 -12.616 -3.709 280 1HG GLU 39 HG2 GLU 39 11.678 -13.460 -6.092 281 2HG GLU 39 HG1 GLU 39 13.187 -12.572 -5.871 282 H MET 40 HN MET 40 11.389 -8.893 -4.465 283 HA MET 40 HA MET 40 9.613 -8.589 -2.221 284 1HB MET 40 HB2 MET 40 11.814 -7.309 -2.854 285 2HB MET 40 HB1 MET 40 10.729 -6.252 -3.744 286 1HG MET 40 HG2 MET 40 10.948 -5.301 -1.551 287 2HG MET 40 HG1 MET 40 9.349 -6.043 -1.627 288 1HE MET 40 HE1 MET 40 12.907 -6.417 -1.044 289 2HE MET 40 HE3 MET 40 12.697 -6.065 0.677 290 3HE MET 40 HE2 MET 40 13.167 -7.681 0.155 291 H LYS 41 HN LYS 41 9.660 -6.937 -5.368 292 HA LYS 41 HA LYS 41 7.184 -5.613 -5.219 293 1HB LYS 41 HB2 LYS 41 8.942 -5.378 -7.034 294 2HB LYS 41 HB1 LYS 41 8.289 -6.849 -7.753 295 1HG LYS 41 HG2 LYS 41 6.993 -5.322 -8.882 296 2HG LYS 41 HG1 LYS 41 5.991 -5.500 -7.442 297 1HD LYS 41 HD2 LYS 41 6.482 -3.409 -6.681 298 2HD LYS 41 HD1 LYS 41 8.164 -3.506 -7.203 299 1HE LYS 41 HE2 LYS 41 7.303 -3.267 -9.591 300 2HE LYS 41 HE1 LYS 41 5.740 -2.850 -8.890 301 1HZ LYS 41 HZ3 LYS 41 6.827 -1.056 -7.667 302 2HZ LYS 41 HZ2 LYS 41 8.309 -1.443 -8.403 303 3HZ LYS 41 HZ1 LYS 41 7.014 -0.868 -9.342 304 H ALA 42 HN ALA 42 7.894 -8.947 -6.144 305 HA ALA 42 HA ALA 42 5.297 -9.695 -7.077 306 1HB ALA 42 HB2 ALA 42 7.724 -11.139 -6.108 307 2HB ALA 42 HB1 ALA 42 6.206 -12.035 -6.146 308 3HB ALA 42 HB3 ALA 42 6.845 -11.319 -7.626 309 H ARG 43 HN ARG 43 6.840 -9.738 -3.901 310 HA ARG 43 HA ARG 43 4.755 -11.015 -2.437 311 1HB ARG 43 HB2 ARG 43 7.269 -9.859 -1.861 312 2HB ARG 43 HB1 ARG 43 6.112 -8.990 -0.856 313 1HG ARG 43 HG2 ARG 43 6.350 -12.011 -1.017 314 2HG ARG 43 HG1 ARG 43 6.998 -11.011 0.286 315 1HD ARG 43 HD2 ARG 43 4.787 -10.283 0.923 316 2HD ARG 43 HD1 ARG 43 4.071 -11.041 -0.498 317 HE ARG 43 HE ARG 43 4.782 -13.251 0.527 318 1HH1 ARG 43 HH11 ARG 43 5.969 -11.117 2.692 319 2HH1 ARG 43 HH12 ARG 43 5.029 -11.635 4.051 320 1HH2 ARG 43 HH21 ARG 43 2.907 -13.622 2.161 321 2HH2 ARG 43 HH22 ARG 43 3.295 -13.054 3.751 322 H CYS 44 HN CYS 44 5.325 -7.620 -3.304 323 HA CYS 44 HA CYS 44 3.190 -6.498 -1.744 324 1HB CYS 44 HB2 CYS 44 4.675 -5.544 -4.176 325 2HB CYS 44 HB1 CYS 44 3.275 -4.670 -3.546 326 H CYS 45 HN CYS 45 3.365 -7.938 -4.997 327 HA CYS 45 HA CYS 45 0.699 -7.103 -5.805 328 1HB CYS 45 HB2 CYS 45 2.610 -9.199 -6.857 329 2HB CYS 45 HB1 CYS 45 0.993 -9.002 -7.518 330 H ARG 46 HN ARG 46 2.021 -9.861 -4.061 331 HA ARG 46 HA ARG 46 -0.403 -11.465 -4.192 332 1HB ARG 46 HB2 ARG 46 2.051 -12.164 -3.579 333 2HB ARG 46 HB1 ARG 46 1.601 -11.679 -1.955 334 1HG ARG 46 HG2 ARG 46 -0.185 -13.251 -1.851 335 2HG ARG 46 HG1 ARG 46 -0.091 -13.581 -3.581 336 1HD ARG 46 HD2 ARG 46 1.970 -14.748 -3.352 337 2HD ARG 46 HD1 ARG 46 2.228 -14.130 -1.721 338 HE ARG 46 HE ARG 46 0.408 -15.616 -0.956 339 1HH1 ARG 46 HH11 ARG 46 0.039 -15.741 -4.227 340 2HH1 ARG 46 HH12 ARG 46 0.114 -17.466 -4.377 341 1HH2 ARG 46 HH21 ARG 46 1.167 -17.971 -1.113 342 2HH2 ARG 46 HH22 ARG 46 0.752 -18.727 -2.615 343 H GLN 47 HN GLN 47 0.915 -8.977 -2.085 344 HA GLN 47 HA GLN 47 -1.082 -9.297 0.020 345 1HB GLN 47 HB2 GLN 47 0.755 -6.971 -0.621 346 2HB GLN 47 HB1 GLN 47 -0.142 -7.187 0.880 347 1HG GLN 47 HG2 GLN 47 1.355 -9.591 0.305 348 2HG GLN 47 HG1 GLN 47 2.434 -8.199 0.243 349 1HE2 GLN 47 HE22 GLN 47 2.669 -8.412 3.757 350 2HE2 GLN 47 HE21 GLN 47 3.484 -8.451 2.269 351 H LEU 48 HN LEU 48 -0.754 -7.373 -2.900 352 HA LEU 48 HA LEU 48 -2.945 -5.566 -2.359 353 1HB LEU 48 HB2 LEU 48 -0.970 -5.298 -4.051 354 2HB LEU 48 HB1 LEU 48 -1.984 -6.260 -5.128 355 HG LEU 48 HG LEU 48 -3.800 -4.447 -4.174 356 1HD1 LEU 48 HD11 LEU 48 -1.916 -3.257 -3.001 357 2HD1 LEU 48 HD13 LEU 48 -1.212 -2.925 -4.583 358 3HD1 LEU 48 HD12 LEU 48 -2.785 -2.251 -4.158 359 1HD2 LEU 48 HD21 LEU 48 -3.058 -5.183 -6.578 360 2HD2 LEU 48 HD23 LEU 48 -3.823 -3.607 -6.362 361 3HD2 LEU 48 HD22 LEU 48 -2.070 -3.723 -6.526 362 H GLU 49 HN GLU 49 -2.571 -8.668 -4.010 363 HA GLU 49 HA GLU 49 -5.282 -8.725 -5.058 364 1HB GLU 49 HB2 GLU 49 -3.175 -10.132 -5.785 365 2HB GLU 49 HB1 GLU 49 -3.672 -11.210 -4.482 366 1HG GLU 49 HG2 GLU 49 -4.699 -11.971 -6.549 367 2HG GLU 49 HG1 GLU 49 -5.957 -11.310 -5.504 368 H ALA 50 HN ALA 50 -3.635 -9.871 -2.139 369 HA ALA 50 HA ALA 50 -5.780 -11.372 -0.976 370 1HB ALA 50 HB1 ALA 50 -3.471 -9.818 0.219 371 2HB ALA 50 HB3 ALA 50 -4.632 -10.682 1.227 372 3HB ALA 50 HB2 ALA 50 -3.639 -11.567 0.069 373 H ILE 51 HN ILE 51 -4.927 -7.970 -1.000 374 HA ILE 51 HA ILE 51 -7.223 -7.110 0.623 375 HB ILE 51 HB ILE 51 -5.267 -5.484 -1.045 376 1HG1 ILE 51 HG12 ILE 51 -5.224 -5.785 1.955 377 2HG1 ILE 51 HG11 ILE 51 -4.388 -6.948 0.927 378 1HG2 ILE 51 HG23 ILE 51 -7.184 -4.705 1.175 379 2HG2 ILE 51 HG22 ILE 51 -6.029 -3.620 0.400 380 3HG2 ILE 51 HG21 ILE 51 -7.363 -4.302 -0.533 381 1HD1 ILE 51 HD13 ILE 51 -3.919 -4.076 0.318 382 2HD1 ILE 51 HD12 ILE 51 -3.215 -4.684 1.817 383 3HD1 ILE 51 HD11 ILE 51 -2.792 -5.433 0.278 384 HA PRO 52 HA PRO 52 -9.505 -7.721 -3.259 385 1HB PRO 52 HB2 PRO 52 -11.980 -6.988 -2.257 386 2HB PRO 52 HB1 PRO 52 -11.284 -8.616 -2.156 387 1HG PRO 52 HG2 PRO 52 -11.404 -6.480 -0.044 388 2HG PRO 52 HG1 PRO 52 -11.542 -8.241 0.131 389 1HD PRO 52 HD2 PRO 52 -9.236 -6.870 0.736 390 2HD PRO 52 HD1 PRO 52 -9.237 -8.552 0.161 391 H ALA 53 HN ALA 53 -10.039 -6.395 -4.894 392 HA ALA 53 HA ALA 53 -9.208 -3.751 -5.069 393 1HB ALA 53 HB1 ALA 53 -10.025 -5.437 -6.885 394 2HB ALA 53 HB3 ALA 53 -11.592 -4.664 -6.645 395 3HB ALA 53 HB2 ALA 53 -10.209 -3.706 -7.172 396 H TYR 54 HN TYR 54 -12.212 -4.935 -3.725 397 HA TYR 54 HA TYR 54 -14.014 -2.850 -3.929 398 1HB TYR 54 HB2 TYR 54 -13.635 -5.093 -2.218 399 2HB TYR 54 HB1 TYR 54 -13.998 -3.719 -1.178 400 HD1 TYR 54 HD2 TYR 54 -16.029 -2.244 -1.826 401 HD2 TYR 54 HD1 TYR 54 -15.351 -6.186 -3.391 402 HE1 TYR 54 HE2 TYR 54 -18.423 -2.406 -2.454 403 HE2 TYR 54 HE1 TYR 54 -17.744 -6.348 -4.020 404 HH TYR 54 HH TYR 54 -19.661 -4.176 -4.533 405 H CYS 55 HN CYS 55 -12.030 -3.107 -0.962 406 HA CYS 55 HA CYS 55 -12.011 -0.107 -0.816 407 1HB CYS 55 HB2 CYS 55 -12.033 -2.291 1.258 408 2HB CYS 55 HB1 CYS 55 -11.444 -0.676 1.659 409 H ARG 56 HN ARG 56 -9.960 -2.010 -2.248 410 HA ARG 56 HA ARG 56 -7.529 -2.388 -1.034 411 1HB ARG 56 HB2 ARG 56 -8.372 -1.611 -3.759 412 2HB ARG 56 HB1 ARG 56 -6.689 -1.251 -3.383 413 1HG ARG 56 HG2 ARG 56 -6.583 -3.682 -2.479 414 2HG ARG 56 HG1 ARG 56 -8.080 -3.929 -3.381 415 1HD ARG 56 HD2 ARG 56 -6.751 -2.790 -5.343 416 2HD ARG 56 HD1 ARG 56 -5.339 -3.274 -4.415 417 HE ARG 56 HE ARG 56 -6.626 -5.640 -4.543 418 1HH1 ARG 56 HH21 ARG 56 -7.767 -3.645 -6.872 419 2HH1 ARG 56 HH22 ARG 56 -7.116 -4.506 -8.225 420 1HH2 ARG 56 HH11 ARG 56 -5.115 -6.572 -6.297 421 2HH2 ARG 56 HH12 ARG 56 -5.626 -6.169 -7.901 422 H CYS 57 HN CYS 57 -7.627 0.602 -2.998 423 HA CYS 57 HA CYS 57 -5.658 2.111 -1.901 424 1HB CYS 57 HB2 CYS 57 -8.432 3.124 -2.565 425 2HB CYS 57 HB1 CYS 57 -7.009 4.152 -2.380 426 H GLU 58 HN GLU 58 -8.755 1.670 -0.077 427 HA GLU 58 HA GLU 58 -8.519 3.583 1.912 428 1HB GLU 58 HB2 GLU 58 -10.231 1.645 1.619 429 2HB GLU 58 HB1 GLU 58 -9.135 0.731 2.656 430 1HG GLU 58 HG2 GLU 58 -9.412 2.233 4.467 431 2HG GLU 58 HG1 GLU 58 -10.103 3.483 3.432 432 H ALA 59 HN ALA 59 -7.040 0.286 2.199 433 HA ALA 59 HA ALA 59 -5.643 0.503 4.549 434 1HB ALA 59 HB1 ALA 59 -5.666 -1.350 2.660 435 2HB ALA 59 HB3 ALA 59 -4.124 -0.606 2.235 436 3HB ALA 59 HB2 ALA 59 -4.361 -1.282 3.846 437 H VAL 60 HN VAL 60 -4.587 1.973 1.501 438 HA VAL 60 HA VAL 60 -1.973 2.773 2.196 439 HB VAL 60 HB VAL 60 -3.949 4.388 0.556 440 1HG1 VAL 60 HG11 VAL 60 -1.829 5.534 1.128 441 2HG1 VAL 60 HG13 VAL 60 -0.923 4.173 0.468 442 3HG1 VAL 60 HG12 VAL 60 -1.917 5.168 -0.595 443 1HG2 VAL 60 HG21 VAL 60 -2.483 1.842 0.033 444 2HG2 VAL 60 HG23 VAL 60 -4.041 2.388 -0.589 445 3HG2 VAL 60 HG22 VAL 60 -2.545 3.018 -1.280 446 H ARG 61 HN ARG 61 -5.028 4.548 2.591 447 HA ARG 61 HA ARG 61 -4.004 6.851 3.916 448 1HB ARG 61 HB2 ARG 61 -6.534 5.880 3.198 449 2HB ARG 61 HB1 ARG 61 -6.614 6.039 4.951 450 1HG ARG 61 HG2 ARG 61 -7.277 8.162 4.092 451 2HG ARG 61 HG1 ARG 61 -5.612 8.377 4.637 452 1HD ARG 61 HD2 ARG 61 -4.827 7.977 2.310 453 2HD ARG 61 HD1 ARG 61 -6.505 7.855 1.786 454 HE ARG 61 HE ARG 61 -6.076 10.336 3.184 455 1HH1 ARG 61 HH21 ARG 61 -3.826 9.823 1.055 456 2HH1 ARG 61 HH22 ARG 61 -4.466 10.743 -0.266 457 1HH2 ARG 61 HH11 ARG 61 -7.629 11.034 1.123 458 2HH2 ARG 61 HH12 ARG 61 -6.618 11.428 -0.227 459 H ILE 62 HN ILE 62 -4.683 3.638 5.117 460 HA ILE 62 HA ILE 62 -4.520 4.308 7.960 461 HB ILE 62 HB ILE 62 -4.662 1.761 6.331 462 1HG1 ILE 62 HG12 ILE 62 -6.701 1.541 7.932 463 2HG1 ILE 62 HG11 ILE 62 -6.426 3.252 8.263 464 1HG2 ILE 62 HG23 ILE 62 -3.822 2.049 9.186 465 2HG2 ILE 62 HG22 ILE 62 -4.941 0.746 8.789 466 3HG2 ILE 62 HG21 ILE 62 -3.366 0.825 8.001 467 1HD1 ILE 62 HD11 ILE 62 -6.619 2.208 5.438 468 2HD1 ILE 62 HD13 ILE 62 -8.057 2.671 6.348 469 3HD1 ILE 62 HD12 ILE 62 -6.806 3.867 6.007 470 H LEU 63 HN LEU 63 -2.245 3.362 5.463 471 HA LEU 63 HA LEU 63 -0.160 2.661 7.360 472 1HB LEU 63 HB2 LEU 63 -0.263 1.715 5.036 473 2HB LEU 63 HB1 LEU 63 0.132 3.319 4.416 474 HG LEU 63 HG LEU 63 1.900 2.185 6.538 475 1HD1 LEU 63 HD13 LEU 63 1.539 1.060 3.799 476 2HD1 LEU 63 HD12 LEU 63 3.193 1.260 4.376 477 3HD1 LEU 63 HD11 LEU 63 2.057 0.260 5.283 478 1HD2 LEU 63 HD22 LEU 63 2.017 4.118 4.270 479 2HD2 LEU 63 HD21 LEU 63 2.706 4.243 5.887 480 3HD2 LEU 63 HD23 LEU 63 3.505 3.258 4.662 481 H MET 64 HN MET 64 -0.932 5.527 5.404 482 HA MET 64 HA MET 64 1.428 6.943 6.377 483 1HB MET 64 HB2 MET 64 0.239 7.384 4.142 484 2HB MET 64 HB1 MET 64 -0.982 8.250 5.080 485 1HG MET 64 HG2 MET 64 1.715 9.028 5.874 486 2HG MET 64 HG1 MET 64 1.442 9.298 4.155 487 1HE MET 64 HE3 MET 64 2.165 11.545 5.734 488 2HE MET 64 HE2 MET 64 0.943 12.596 6.447 489 3HE MET 64 HE1 MET 64 1.454 11.143 7.303 490 H ASP 65 HN ASP 65 -2.100 7.268 6.954 491 HA ASP 65 HA ASP 65 -1.590 9.137 9.142 492 1HB ASP 65 HB2 ASP 65 -4.171 8.106 7.911 493 2HB ASP 65 HB1 ASP 65 -4.176 8.889 9.492 494 H GLY 66 HN GLY 66 -2.025 5.707 8.879 495 1HA GLY 66 HA2 GLY 66 -1.591 4.134 10.616 496 2HA GLY 66 HA1 GLY 66 -1.580 5.458 11.778 497 H VAL 67 HN VAL 67 -3.041 2.843 11.761 498 HA VAL 67 HA VAL 67 -5.849 3.860 11.998 499 HB VAL 67 HB VAL 67 -5.559 2.128 10.249 500 1HG1 VAL 67 HG13 VAL 67 -3.893 0.915 12.226 501 2HG1 VAL 67 HG12 VAL 67 -5.242 -0.183 11.943 502 3HG1 VAL 67 HG11 VAL 67 -4.226 0.328 10.600 503 1HG2 VAL 67 HG21 VAL 67 -7.611 2.362 11.852 504 2HG2 VAL 67 HG23 VAL 67 -7.492 0.935 10.822 505 3HG2 VAL 67 HG22 VAL 67 -7.040 0.834 12.523 506 H VAL 68 HN VAL 68 -7.134 2.848 13.732 507 HA VAL 68 HA VAL 68 -5.431 2.067 16.050 508 HB VAL 68 HB VAL 68 -8.026 3.641 15.986 509 1HG1 VAL 68 HG11 VAL 68 -6.554 2.450 18.367 510 2HG1 VAL 68 HG13 VAL 68 -7.839 3.653 18.493 511 3HG1 VAL 68 HG12 VAL 68 -8.190 2.051 17.843 512 1HG2 VAL 68 HG23 VAL 68 -5.148 4.182 16.607 513 2HG2 VAL 68 HG22 VAL 68 -6.319 5.195 15.763 514 3HG2 VAL 68 HG21 VAL 68 -6.372 5.063 17.521 515 H THR 69 HN THR 69 -6.393 0.556 17.515 516 HA THR 69 HA THR 69 -8.230 -1.360 16.191 517 HB THR 69 HB THR 69 -7.041 -3.126 17.478 518 HG1 THR 69 HG1 THR 69 -5.335 -2.614 18.690 519 1HG2 THR 69 HG21 THR 69 -6.352 -2.079 15.122 520 2HG2 THR 69 HG23 THR 69 -4.894 -1.656 16.019 521 3HG2 THR 69 HG22 THR 69 -5.390 -3.343 15.887 522 H SER 70 HN SER 70 -9.512 -2.633 17.614 523 HA SER 70 HA SER 70 -10.987 -1.103 19.498 524 1HB SER 70 HB2 SER 70 -12.013 -2.894 18.216 525 2HB SER 70 HB1 SER 70 -10.919 -4.074 18.933 526 HG SER 70 HG SER 70 -12.634 -4.237 20.223 527 H SER 71 HN SER 71 -8.318 -3.275 19.833 528 HA SER 71 HA SER 71 -8.541 -3.743 22.678 529 1HB SER 71 HB2 SER 71 -6.028 -4.324 22.365 530 2HB SER 71 HB1 SER 71 -7.220 -5.330 21.552 531 HG SER 71 HG SER 71 -5.531 -4.671 20.150 532 H GLY 72 HN GLY 72 -7.495 -1.044 20.805 533 1HA GLY 72 HA2 GLY 72 -7.100 1.126 21.862 534 2HA GLY 72 HA1 GLY 72 -6.468 0.266 23.269 535 H GLN 73 HN GLN 73 -5.347 -1.174 20.368 536 HA GLN 73 HA GLN 73 -2.674 0.100 20.774 537 1HB GLN 73 HB2 GLN 73 -3.416 -2.389 19.202 538 2HB GLN 73 HB1 GLN 73 -1.783 -1.838 19.584 539 1HG GLN 73 HG2 GLN 73 -2.824 -1.899 22.077 540 2HG GLN 73 HG1 GLN 73 -3.787 -3.172 21.326 541 1HE2 GLN 73 HE22 GLN 73 0.296 -3.709 21.484 542 2HE2 GLN 73 HE21 GLN 73 -0.320 -2.131 21.375 543 H HIS 74 HN HIS 74 -1.456 0.763 18.836 544 HA HIS 74 HA HIS 74 -3.233 1.535 16.559 545 1HB HIS 74 HB2 HIS 74 -0.848 2.879 17.818 546 2HB HIS 74 HB1 HIS 74 -1.396 3.293 16.214 547 HD1 HIS 74 HD1 HIS 74 -2.285 5.624 16.742 548 HD2 HIS 74 HD2 HIS 74 -3.940 2.687 19.192 549 HE1 HIS 74 HE1 HIS 74 -4.160 6.735 18.031 550 H GLU 75 HN GLU 75 -2.205 1.427 14.439 551 HA GLU 75 HA GLU 75 0.337 -0.059 14.274 552 1HB GLU 75 HB2 GLU 75 -2.165 -1.005 12.860 553 2HB GLU 75 HB1 GLU 75 -0.570 -1.754 12.791 554 1HG GLU 75 HG2 GLU 75 -0.794 -1.859 15.398 555 2HG GLU 75 HG1 GLU 75 -2.520 -1.678 15.077 556 H GLY 76 HN GLY 76 0.569 -0.523 11.696 557 1HA GLY 76 HA2 GLY 76 1.106 0.478 9.649 558 2HA GLY 76 HA1 GLY 76 -0.331 1.482 9.874 559 H ARG 77 HN ARG 77 0.613 3.424 9.254 560 HA ARG 77 HA ARG 77 1.839 5.418 9.499 561 1HB ARG 77 HB2 ARG 77 0.741 5.181 11.782 562 2HB ARG 77 HB1 ARG 77 2.272 4.518 12.352 563 1HG ARG 77 HG2 ARG 77 2.778 6.703 12.775 564 2HG ARG 77 HG1 ARG 77 3.148 6.750 11.051 565 1HD ARG 77 HD2 ARG 77 0.588 7.255 10.787 566 2HD ARG 77 HD1 ARG 77 0.696 7.733 12.481 567 HE ARG 77 HE ARG 77 2.163 9.041 10.240 568 1HH1 ARG 77 HH11 ARG 77 3.922 9.765 12.181 569 2HH1 ARG 77 HH12 ARG 77 3.165 10.986 13.149 570 1HH2 ARG 77 HH21 ARG 77 -0.042 10.231 12.063 571 2HH2 ARG 77 HH22 ARG 77 0.918 11.250 13.084 572 H LEU 78 HN LEU 78 3.259 2.676 8.976 573 HA LEU 78 HA LEU 78 5.829 2.744 10.230 574 1HB LEU 78 HB2 LEU 78 4.645 1.295 7.890 575 2HB LEU 78 HB1 LEU 78 6.403 1.346 8.023 576 HG LEU 78 HG LEU 78 6.209 0.503 10.364 577 1HD1 LEU 78 HD11 LEU 78 3.315 0.705 9.649 578 2HD1 LEU 78 HD13 LEU 78 3.816 -0.656 10.654 579 3HD1 LEU 78 HD12 LEU 78 4.112 0.997 11.195 580 1HD2 LEU 78 HD23 LEU 78 6.213 -0.906 8.063 581 2HD2 LEU 78 HD22 LEU 78 6.183 -1.683 9.646 582 3HD2 LEU 78 HD21 LEU 78 4.687 -1.475 8.737 583 H LEU 79 HN LEU 79 4.485 4.578 7.581 584 HA LEU 79 HA LEU 79 6.875 5.279 6.183 585 1HB LEU 79 HB2 LEU 79 4.599 5.771 5.336 586 2HB LEU 79 HB1 LEU 79 4.344 6.899 6.666 587 HG LEU 79 HG LEU 79 6.819 7.462 5.201 588 1HD1 LEU 79 HD13 LEU 79 5.296 6.512 3.381 589 2HD1 LEU 79 HD12 LEU 79 4.234 7.886 3.688 590 3HD1 LEU 79 HD11 LEU 79 5.880 8.154 3.116 591 1HD2 LEU 79 HD23 LEU 79 5.123 8.834 6.823 592 2HD2 LEU 79 HD22 LEU 79 6.230 9.622 5.700 593 3HD2 LEU 79 HD21 LEU 79 4.544 9.373 5.248 594 H GLN 80 HN GLN 80 8.536 5.669 7.707 595 HA GLN 80 HA GLN 80 8.322 8.256 9.159 596 1HB GLN 80 HB2 GLN 80 9.255 5.646 10.385 597 2HB GLN 80 HB1 GLN 80 9.365 7.226 11.162 598 1HG GLN 80 HG2 GLN 80 6.769 7.304 10.564 599 2HG GLN 80 HG1 GLN 80 6.952 5.549 10.612 600 1HE2 GLN 80 HE22 GLN 80 7.104 5.432 14.127 601 2HE2 GLN 80 HE21 GLN 80 6.973 4.580 12.664 602 H ASP 81 HN ASP 81 10.564 8.713 10.175 603 HA ASP 81 HA ASP 81 12.456 9.031 8.083 604 1HB ASP 81 HB2 ASP 81 12.881 9.259 11.085 605 2HB ASP 81 HB1 ASP 81 13.923 9.938 9.830 606 H LEU 82 HN LEU 82 13.724 7.576 7.265 607 HA LEU 82 HA LEU 82 14.834 5.325 8.883 608 1HB LEU 82 HB2 LEU 82 14.021 5.562 5.988 609 2HB LEU 82 HB1 LEU 82 15.234 4.383 6.452 610 HG LEU 82 HG LEU 82 12.486 4.571 7.717 611 1HD1 LEU 82 HD11 LEU 82 13.511 3.126 5.306 612 2HD1 LEU 82 HD13 LEU 82 12.388 2.266 6.358 613 3HD1 LEU 82 HD12 LEU 82 11.907 3.790 5.614 614 1HD2 LEU 82 HD22 LEU 82 14.814 2.651 7.908 615 2HD2 LEU 82 HD21 LEU 82 13.972 3.479 9.218 616 3HD2 LEU 82 HD23 LEU 82 13.179 2.162 8.352 617 HA PRO 83 HA PRO 83 18.818 7.053 8.109 618 1HB PRO 83 HB2 PRO 83 20.382 4.903 7.369 619 2HB PRO 83 HB1 PRO 83 19.892 5.254 9.036 620 1HG PRO 83 HG2 PRO 83 18.809 3.200 7.146 621 2HG PRO 83 HG1 PRO 83 18.934 3.142 8.913 622 1HD PRO 83 HD2 PRO 83 16.584 3.666 7.523 623 2HD PRO 83 HD1 PRO 83 16.872 4.137 9.208 624 H GLY 84 HN GLY 84 18.539 8.390 6.365 625 1HA GLY 84 HA2 GLY 84 19.316 9.134 4.239 626 2HA GLY 84 HA1 GLY 84 19.578 7.458 3.762 627 H CYS 85 HN CYS 85 16.469 7.821 5.178 628 HA CYS 85 HA CYS 85 15.172 8.480 2.578 629 1HB CYS 85 HB2 CYS 85 14.151 6.128 4.148 630 2HB CYS 85 HB1 CYS 85 13.888 6.519 2.456 631 HA PRO 86 HA PRO 86 13.056 10.537 6.153 632 1HB PRO 86 HB2 PRO 86 12.316 12.789 4.735 633 2HB PRO 86 HB1 PRO 86 13.854 12.623 5.573 634 1HG PRO 86 HG2 PRO 86 13.284 12.469 2.659 635 2HG PRO 86 HG1 PRO 86 14.773 12.954 3.487 636 1HD PRO 86 HD2 PRO 86 14.340 10.476 2.259 637 2HD PRO 86 HD1 PRO 86 15.620 10.817 3.440 638 H ARG 87 HN ARG 87 10.757 11.308 6.386 639 HA ARG 87 HA ARG 87 8.801 9.602 5.366 640 1HB ARG 87 HB2 ARG 87 8.534 12.512 6.183 641 2HB ARG 87 HB1 ARG 87 7.193 11.384 6.014 642 1HG ARG 87 HG2 ARG 87 8.280 9.917 7.686 643 2HG ARG 87 HG1 ARG 87 9.521 11.146 7.906 644 1HD ARG 87 HD2 ARG 87 7.667 11.234 9.621 645 2HD ARG 87 HD1 ARG 87 7.912 12.734 8.732 646 HE ARG 87 HE ARG 87 5.908 11.028 7.491 647 1HH1 ARG 87 HH11 ARG 87 5.605 13.936 7.405 648 2HH1 ARG 87 HH12 ARG 87 4.404 14.252 8.612 649 1HH2 ARG 87 HH21 ARG 87 4.761 11.174 10.159 650 2HH2 ARG 87 HH22 ARG 87 3.927 12.691 10.168 651 H GLN 88 HN GLN 88 10.221 12.481 4.017 652 HA GLN 88 HA GLN 88 8.240 13.221 2.114 653 1HB GLN 88 HB2 GLN 88 10.800 14.087 2.826 654 2HB GLN 88 HB1 GLN 88 10.944 13.667 1.120 655 1HG GLN 88 HG2 GLN 88 10.246 15.963 1.201 656 2HG GLN 88 HG1 GLN 88 8.829 15.025 0.726 657 1HE2 GLN 88 HE22 GLN 88 8.633 17.253 4.042 658 2HE2 GLN 88 HE21 GLN 88 9.863 17.406 2.881 659 H VAL 89 HN VAL 89 11.032 11.005 1.635 660 HA VAL 89 HA VAL 89 10.508 10.539 -1.142 661 HB VAL 89 HB VAL 89 12.026 8.887 0.890 662 1HG1 VAL 89 HG11 VAL 89 11.456 7.680 -1.231 663 2HG1 VAL 89 HG13 VAL 89 12.247 8.973 -2.132 664 3HG1 VAL 89 HG12 VAL 89 13.189 7.955 -1.042 665 1HG2 VAL 89 HG22 VAL 89 12.709 11.256 0.668 666 2HG2 VAL 89 HG21 VAL 89 13.948 10.121 0.134 667 3HG2 VAL 89 HG23 VAL 89 12.969 10.980 -1.054 668 H GLN 90 HN GLN 90 9.670 8.737 1.806 669 HA GLN 90 HA GLN 90 8.386 6.553 0.422 670 1HB GLN 90 HB2 GLN 90 8.316 7.584 3.253 671 2HB GLN 90 HB1 GLN 90 7.224 6.296 2.742 672 1HG GLN 90 HG2 GLN 90 8.989 4.815 2.257 673 2HG GLN 90 HG1 GLN 90 10.174 6.119 2.164 674 1HE2 GLN 90 HE22 GLN 90 10.924 6.011 5.605 675 2HE2 GLN 90 HE21 GLN 90 11.284 6.666 4.080 676 H ARG 91 HN ARG 91 7.382 9.752 1.395 677 HA ARG 91 HA ARG 91 4.526 9.247 1.032 678 1HB ARG 91 HB2 ARG 91 5.543 11.042 2.549 679 2HB ARG 91 HB1 ARG 91 5.852 11.962 1.076 680 1HG ARG 91 HG2 ARG 91 3.703 12.644 2.037 681 2HG ARG 91 HG1 ARG 91 3.431 11.811 0.507 682 1HD ARG 91 HD2 ARG 91 2.635 9.871 1.554 683 2HD ARG 91 HD1 ARG 91 3.407 10.264 3.089 684 HE ARG 91 HE ARG 91 1.675 12.137 3.259 685 1HH1 ARG 91 HH11 ARG 91 1.057 8.945 2.237 686 2HH1 ARG 91 HH12 ARG 91 -0.616 9.221 1.897 687 1HH2 ARG 91 HH21 ARG 91 -0.458 12.636 2.455 688 2HH2 ARG 91 HH22 ARG 91 -1.471 11.299 2.021 689 H ALA 92 HN ALA 92 7.196 10.272 -0.990 690 HA ALA 92 HA ALA 92 5.529 11.364 -3.118 691 1HB ALA 92 HB1 ALA 92 8.426 10.783 -2.713 692 2HB ALA 92 HB3 ALA 92 7.847 10.885 -4.375 693 3HB ALA 92 HB2 ALA 92 7.644 12.257 -3.286 694 H PHE 93 HN PHE 93 7.365 8.325 -2.690 695 HA PHE 93 HA PHE 93 6.371 7.154 -5.169 696 1HB PHE 93 HB2 PHE 93 8.582 6.565 -4.299 697 2HB PHE 93 HB1 PHE 93 7.856 5.954 -2.817 698 HD1 PHE 93 HD1 PHE 93 6.490 3.877 -2.839 699 HD2 PHE 93 HD2 PHE 93 8.538 5.280 -6.344 700 HE1 PHE 93 HE1 PHE 93 6.193 1.658 -3.901 701 HE2 PHE 93 HE2 PHE 93 8.242 3.061 -7.406 702 HZ PHE 93 HZ PHE 93 7.071 1.248 -6.184 703 H ALA 94 HN ALA 94 5.386 7.101 -1.811 704 HA ALA 94 HA ALA 94 3.914 4.742 -1.633 705 1HB ALA 94 HB3 ALA 94 3.777 7.391 -0.306 706 2HB ALA 94 HB2 ALA 94 2.366 6.350 -0.123 707 3HB ALA 94 HB1 ALA 94 3.952 5.783 0.396 708 HA PRO 95 HA PRO 95 -0.069 6.905 -3.218 709 1HB PRO 95 HB2 PRO 95 0.203 9.258 -4.626 710 2HB PRO 95 HB1 PRO 95 -0.111 9.164 -2.885 711 1HG PRO 95 HG2 PRO 95 2.434 9.807 -4.306 712 2HG PRO 95 HG1 PRO 95 1.874 10.334 -2.710 713 1HD PRO 95 HD2 PRO 95 3.762 8.315 -3.171 714 2HD PRO 95 HD1 PRO 95 2.870 8.550 -1.655 715 H LYS 96 HN LYS 96 0.409 5.038 -4.512 716 HA LYS 96 HA LYS 96 -0.265 5.098 -7.183 717 1HB LYS 96 HB2 LYS 96 2.485 5.982 -6.856 718 2HB LYS 96 HB1 LYS 96 2.442 4.496 -7.795 719 1HG LYS 96 HG2 LYS 96 1.709 5.611 -9.603 720 2HG LYS 96 HG1 LYS 96 0.315 6.204 -8.706 721 1HD LYS 96 HD2 LYS 96 2.576 7.699 -7.812 722 2HD LYS 96 HD1 LYS 96 2.644 7.658 -9.572 723 1HE LYS 96 HE2 LYS 96 -0.015 8.142 -9.177 724 2HE LYS 96 HE1 LYS 96 0.686 8.977 -7.791 725 1HZ LYS 96 HZ1 LYS 96 1.599 9.335 -10.592 726 2HZ LYS 96 HZ3 LYS 96 0.506 10.368 -9.806 727 3HZ LYS 96 HZ2 LYS 96 2.098 10.224 -9.232 728 H LEU 97 HN LEU 97 -0.952 3.370 -5.326 729 HA LEU 97 HA LEU 97 0.813 1.031 -5.325 730 1HB LEU 97 HB2 LEU 97 -0.460 0.128 -3.589 731 2HB LEU 97 HB1 LEU 97 -0.470 1.857 -3.292 732 HG LEU 97 HG LEU 97 -2.727 0.414 -4.704 733 1HD1 LEU 97 HD12 LEU 97 -2.147 0.853 -1.805 734 2HD1 LEU 97 HD11 LEU 97 -3.819 0.875 -2.369 735 3HD1 LEU 97 HD13 LEU 97 -2.825 -0.564 -2.606 736 1HD2 LEU 97 HD23 LEU 97 -2.362 3.158 -3.475 737 2HD2 LEU 97 HD22 LEU 97 -2.809 2.782 -5.137 738 3HD2 LEU 97 HD21 LEU 97 -3.953 2.492 -3.831 739 H VAL 98 HN VAL 98 -2.690 1.342 -6.421 740 HA VAL 98 HA VAL 98 -2.330 -1.218 -7.820 741 HB VAL 98 HB VAL 98 -4.703 -1.149 -8.182 742 1HG1 VAL 98 HG13 VAL 98 -3.552 -1.460 -5.812 743 2HG1 VAL 98 HG12 VAL 98 -4.504 -0.023 -5.433 744 3HG1 VAL 98 HG11 VAL 98 -5.305 -1.491 -5.991 745 1HG2 VAL 98 HG22 VAL 98 -4.351 1.742 -7.493 746 2HG2 VAL 98 HG21 VAL 98 -5.417 1.002 -8.686 747 3HG2 VAL 98 HG23 VAL 98 -5.848 0.967 -6.977 748 H THR 99 HN THR 99 -1.018 1.349 -8.750 749 HA THR 99 HA THR 99 -2.381 1.775 -11.331 750 HB THR 99 HB THR 99 -0.817 3.565 -11.738 751 HG1 THR 99 HG1 THR 99 1.126 3.336 -11.009 752 1HG2 THR 99 HG23 THR 99 -2.636 3.874 -10.015 753 2HG2 THR 99 HG22 THR 99 -1.402 3.614 -8.782 754 3HG2 THR 99 HG21 THR 99 -1.274 4.987 -9.881 755 H GLU 100 HN GLU 100 -0.828 1.739 -13.377 756 HA GLU 100 HA GLU 100 0.158 -0.921 -13.652 757 1HB GLU 100 HB2 GLU 100 -0.582 0.742 -15.466 758 2HB GLU 100 HB1 GLU 100 1.052 1.400 -15.361 759 1HG GLU 100 HG2 GLU 100 2.029 -0.712 -15.967 760 2HG GLU 100 HG1 GLU 100 0.477 -1.538 -15.819 761 H VAL 101 HN VAL 101 1.728 1.556 -11.838 762 HA VAL 101 HA VAL 101 4.424 0.605 -12.645 763 HB VAL 101 HB VAL 101 3.688 2.844 -10.741 764 1HG1 VAL 101 HG11 VAL 101 6.217 1.789 -11.956 765 2HG1 VAL 101 HG13 VAL 101 6.083 3.519 -11.644 766 3HG1 VAL 101 HG12 VAL 101 5.922 2.369 -10.317 767 1HG2 VAL 101 HG21 VAL 101 3.912 2.707 -13.723 768 2HG2 VAL 101 HG23 VAL 101 2.848 3.697 -12.724 769 3HG2 VAL 101 HG22 VAL 101 4.544 4.141 -12.914 770 H GLU 102 HN GLU 102 2.130 -0.432 -10.475 771 HA GLU 102 HA GLU 102 4.251 -1.386 -8.607 772 1HB GLU 102 HB2 GLU 102 1.862 0.227 -7.984 773 2HB GLU 102 HB1 GLU 102 2.066 -1.191 -6.955 774 1HG GLU 102 HG2 GLU 102 3.236 0.695 -5.951 775 2HG GLU 102 HG1 GLU 102 4.421 -0.483 -6.515 776 H CYS 103 HN CYS 103 0.787 -2.047 -8.210 777 HA CYS 103 HA CYS 103 1.124 -4.790 -9.347 778 1HB CYS 103 HB2 CYS 103 0.458 -4.060 -6.487 779 2HB CYS 103 HB1 CYS 103 -0.031 -5.607 -7.176 780 H ASN 104 HN ASN 104 -0.403 -2.483 -10.317 781 HA ASN 104 HA ASN 104 -2.967 -2.027 -9.715 782 1HB ASN 104 HB2 ASN 104 -3.505 -2.080 -12.226 783 2HB ASN 104 HB1 ASN 104 -2.207 -1.024 -11.689 784 1HD2 ASN 104 HD22 ASN 104 -1.368 -3.737 -14.468 785 2HD2 ASN 104 HD21 ASN 104 -2.932 -3.194 -14.090 786 H LEU 105 HN LEU 105 -2.362 -4.884 -11.842 787 HA LEU 105 HA LEU 105 -3.755 -6.762 -12.193 788 1HB LEU 105 HB2 LEU 105 -4.068 -6.263 -9.220 789 2HB LEU 105 HB1 LEU 105 -4.709 -7.694 -10.026 790 HG LEU 105 HG LEU 105 -1.882 -7.104 -10.654 791 1HD1 LEU 105 HD13 LEU 105 -2.795 -7.149 -7.878 792 2HD1 LEU 105 HD12 LEU 105 -1.668 -8.463 -8.209 793 3HD1 LEU 105 HD11 LEU 105 -1.192 -6.796 -8.521 794 1HD2 LEU 105 HD23 LEU 105 -3.458 -9.189 -11.110 795 2HD2 LEU 105 HD22 LEU 105 -1.745 -9.426 -10.763 796 3HD2 LEU 105 HD21 LEU 105 -2.944 -9.659 -9.491 797 H ALA 106 HN ALA 106 -5.085 -3.904 -12.271 798 HA ALA 106 HA ALA 106 -7.200 -3.038 -12.698 799 1HB ALA 106 HB3 ALA 106 -7.448 -5.941 -13.209 800 2HB ALA 106 HB2 ALA 106 -8.971 -5.129 -12.849 801 3HB ALA 106 HB1 ALA 106 -7.973 -4.574 -14.193 802 H THR 107 HN THR 107 -8.405 -2.043 -11.189 803 HA THR 107 HA THR 107 -8.812 -3.304 -8.544 804 HB THR 107 HB THR 107 -9.237 -1.123 -7.723 805 HG1 THR 107 HG1 THR 107 -10.619 0.026 -8.776 806 1HG2 THR 107 HG21 THR 107 -7.031 -1.438 -9.324 807 2HG2 THR 107 HG23 THR 107 -7.763 0.028 -9.976 808 3HG2 THR 107 HG22 THR 107 -7.333 -0.057 -8.268 809 H ILE 108 HN ILE 108 -11.300 -2.001 -7.894 810 HA ILE 108 HA ILE 108 -13.212 -3.871 -8.979 811 HB ILE 108 HB ILE 108 -13.455 -2.819 -6.734 812 1HG1 ILE 108 HG12 ILE 108 -15.814 -1.835 -8.292 813 2HG1 ILE 108 HG11 ILE 108 -15.419 -3.553 -8.374 814 1HG2 ILE 108 HG21 ILE 108 -12.616 -0.563 -7.368 815 2HG2 ILE 108 HG23 ILE 108 -14.086 -0.298 -8.306 816 3HG2 ILE 108 HG22 ILE 108 -14.179 -0.479 -6.553 817 1HD1 ILE 108 HD12 ILE 108 -15.474 -2.229 -5.689 818 2HD1 ILE 108 HD11 ILE 108 -17.008 -2.630 -6.464 819 3HD1 ILE 108 HD13 ILE 108 -15.835 -3.901 -6.120 820 H HIS 109 HN HIS 109 -12.192 -0.632 -9.777 821 HA HIS 109 HA HIS 109 -14.305 0.124 -11.562 822 1HB HIS 109 HB2 HIS 109 -11.431 1.030 -11.286 823 2HB HIS 109 HB1 HIS 109 -12.619 1.815 -12.324 824 HD1 HIS 109 HD1 HIS 109 -14.696 2.928 -11.108 825 HD2 HIS 109 HD2 HIS 109 -11.656 1.646 -8.567 826 HE1 HIS 109 HE1 HIS 109 -15.103 4.040 -8.876 827 H GLY 110 HN GLY 110 -12.082 -2.385 -12.013 828 1HA GLY 110 HA2 GLY 110 -11.373 -3.562 -13.901 829 2HA GLY 110 HA1 GLY 110 -12.725 -2.803 -14.743 830 H GLY 111 HN GLY 111 -10.244 -0.871 -13.208 831 1HA GLY 111 HA2 GLY 111 -8.713 -0.462 -15.677 832 2HA GLY 111 HA1 GLY 111 -9.687 0.920 -15.178 833 HA PRO 112 HA PRO 112 -5.611 0.746 -12.772 834 1HB PRO 112 HB2 PRO 112 -4.183 2.603 -14.236 835 2HB PRO 112 HB1 PRO 112 -4.094 0.855 -14.502 836 1HG PRO 112 HG2 PRO 112 -5.418 2.955 -16.135 837 2HG PRO 112 HG1 PRO 112 -4.851 1.350 -16.624 838 1HD PRO 112 HD2 PRO 112 -7.543 2.101 -16.102 839 2HD PRO 112 HD1 PRO 112 -6.932 0.451 -16.349 840 H PHE 113 HN PHE 113 -7.398 1.888 -11.439 841 HA PHE 113 HA PHE 113 -6.469 4.347 -10.429 842 1HB PHE 113 HB2 PHE 113 -8.239 5.934 -11.226 843 2HB PHE 113 HB1 PHE 113 -7.124 5.440 -12.491 844 HD1 PHE 113 HD1 PHE 113 -10.481 4.647 -11.015 845 HD2 PHE 113 HD2 PHE 113 -7.924 4.429 -14.462 846 HE1 PHE 113 HE1 PHE 113 -12.386 3.841 -12.384 847 HE2 PHE 113 HE2 PHE 113 -9.827 3.622 -15.827 848 HZ PHE 113 HZ PHE 113 -12.064 3.330 -14.794 849 H CYS 114 HN CYS 114 -7.735 5.095 -8.602 850 HA CYS 114 HA CYS 114 -10.303 3.686 -8.141 851 1HB CYS 114 HB2 CYS 114 -9.735 2.971 -5.932 852 2HB CYS 114 HB1 CYS 114 -8.411 2.460 -6.969 853 H LEU 115 HN LEU 115 -11.886 5.166 -7.382 854 HA LEU 115 HA LEU 115 -12.813 7.209 -6.724 855 1HB LEU 115 HB2 LEU 115 -10.649 6.564 -4.830 856 2HB LEU 115 HB1 LEU 115 -11.074 8.273 -4.866 857 HG LEU 115 HG LEU 115 -12.419 7.051 -3.193 858 1HD1 LEU 115 HD12 LEU 115 -13.308 8.938 -4.856 859 2HD1 LEU 115 HD11 LEU 115 -14.383 7.635 -5.363 860 3HD1 LEU 115 HD13 LEU 115 -14.374 8.167 -3.682 861 1HD2 LEU 115 HD22 LEU 115 -12.374 4.871 -4.521 862 2HD2 LEU 115 HD21 LEU 115 -13.929 5.291 -3.801 863 3HD2 LEU 115 HD23 LEU 115 -13.651 5.559 -5.523 864 H SER 116 HN SER 116 -12.121 9.661 -6.310 865 HA SER 116 HA SER 116 -11.303 11.639 -7.266 866 1HB SER 116 HB2 SER 116 -9.170 10.532 -6.352 867 2HB SER 116 HB1 SER 116 -8.848 10.042 -8.012 868 HG SER 116 HG SER 116 -8.558 12.460 -6.827 869 H LEU 117 HN LEU 117 -12.575 9.377 -9.043 870 HA LEU 117 HA LEU 117 -11.398 9.545 -11.639 871 1HB LEU 117 HB2 LEU 117 -14.009 8.653 -10.529 872 2HB LEU 117 HB1 LEU 117 -13.994 9.074 -12.240 873 HG LEU 117 HG LEU 117 -11.887 7.595 -12.398 874 1HD1 LEU 117 HD12 LEU 117 -12.824 7.113 -9.613 875 2HD1 LEU 117 HD11 LEU 117 -12.307 5.699 -10.532 876 3HD1 LEU 117 HD13 LEU 117 -11.193 7.042 -10.279 877 1HD2 LEU 117 HD23 LEU 117 -14.249 7.059 -13.199 878 2HD2 LEU 117 HD22 LEU 117 -13.243 5.658 -12.833 879 3HD2 LEU 117 HD21 LEU 117 -14.472 6.184 -11.684 880 H LEU 118 HN LEU 118 -14.711 10.762 -11.590 881 HA LEU 118 HA LEU 118 -14.130 12.914 -13.334 882 1HB LEU 118 HB2 LEU 118 -16.492 12.182 -11.635 883 2HB LEU 118 HB1 LEU 118 -16.444 13.742 -12.440 884 HG LEU 118 HG LEU 118 -17.580 12.012 -13.815 885 1HD1 LEU 118 HD11 LEU 118 -16.038 13.907 -14.751 886 2HD1 LEU 118 HD13 LEU 118 -14.957 12.579 -15.170 887 3HD1 LEU 118 HD12 LEU 118 -16.588 12.633 -15.838 888 1HD2 LEU 118 HD22 LEU 118 -16.191 10.103 -12.918 889 2HD2 LEU 118 HD21 LEU 118 -16.368 10.103 -14.672 890 3HD2 LEU 118 HD23 LEU 118 -14.866 10.665 -13.939 891 H GLY 119 HN GLY 119 -13.609 12.885 -9.903 892 1HA GLY 119 HA2 GLY 119 -12.962 14.570 -8.419 893 2HA GLY 119 HA1 GLY 119 -12.492 15.491 -9.849 894 H ALA 120 HN ALA 120 -14.852 15.126 -7.373 895 HA ALA 120 HA ALA 120 -16.878 16.807 -8.694 896 1HB ALA 120 HB1 ALA 120 -16.723 15.592 -5.922 897 2HB ALA 120 HB3 ALA 120 -18.091 16.533 -6.515 898 3HB ALA 120 HB2 ALA 120 -17.674 15.001 -7.283 899 H GLY 121 HN GLY 121 -15.096 18.509 -8.898 900 1HA GLY 121 HA2 GLY 121 -14.515 20.049 -6.450 901 2HA GLY 121 HA1 GLY 121 -13.880 20.386 -8.059 902 H GLU 122 HN GLU 122 -17.172 19.874 -8.414 903 HA GLU 122 HA GLU 122 -17.771 22.789 -8.117 904 1HB GLU 122 HB2 GLU 122 -17.591 21.832 -10.499 905 2HB GLU 122 HB1 GLU 122 -19.075 20.952 -10.132 906 1HG GLU 122 HG2 GLU 122 -18.927 23.910 -9.615 907 2HG GLU 122 HG1 GLU 122 -19.238 23.319 -11.248 No H/Q in entry = 907 Start of MODEL 3 Raw file had 930 H/Q atoms Start of MODEL 3 1 1H SER 1 HT2 SER 1 -25.764 -11.433 9.560 2 2H SER 1 HT1 SER 1 -25.969 -9.813 9.083 3 3H SER 1 HT3 SER 1 -27.295 -10.875 9.069 4 HA SER 1 HA SER 1 -26.361 -12.148 7.293 5 1HB SER 1 HB2 SER 1 -26.178 -9.170 6.757 6 2HB SER 1 HB1 SER 1 -26.351 -10.422 5.530 7 HG SER 1 HG SER 1 -28.404 -10.025 5.887 8 H VAL 2 HN VAL 2 -24.626 -12.163 5.576 9 HA VAL 2 HA VAL 2 -22.061 -12.486 6.692 10 HB VAL 2 HB VAL 2 -21.254 -12.303 4.237 11 1HG1 VAL 2 HG12 VAL 2 -22.693 -14.314 5.701 12 2HG1 VAL 2 HG11 VAL 2 -23.134 -14.431 3.999 13 3HG1 VAL 2 HG13 VAL 2 -21.441 -14.526 4.480 14 1HG2 VAL 2 HG23 VAL 2 -23.957 -11.336 3.943 15 2HG2 VAL 2 HG22 VAL 2 -22.717 -11.516 2.710 16 3HG2 VAL 2 HG21 VAL 2 -23.801 -12.857 3.070 17 H GLY 3 HN GLY 3 -23.003 -9.771 4.504 18 1HA GLY 3 HA2 GLY 3 -22.453 -7.461 4.898 19 2HA GLY 3 HA1 GLY 3 -21.249 -7.975 6.079 20 H THR 4 HN THR 4 -21.485 -6.570 3.163 21 HA THR 4 HA THR 4 -19.156 -7.946 1.921 22 HB THR 4 HB THR 4 -21.060 -7.543 0.445 23 HG1 THR 4 HG1 THR 4 -19.918 -6.612 -1.149 24 1HG2 THR 4 HG23 THR 4 -21.181 -5.056 1.895 25 2HG2 THR 4 HG22 THR 4 -21.053 -4.721 0.169 26 3HG2 THR 4 HG21 THR 4 -22.359 -5.740 0.774 27 H SER 5 HN SER 5 -19.085 -6.088 4.335 28 HA SER 5 HA SER 5 -17.544 -3.775 3.296 29 1HB SER 5 HB2 SER 5 -18.142 -4.452 6.183 30 2HB SER 5 HB1 SER 5 -17.675 -2.889 5.518 31 HG SER 5 HG SER 5 -20.032 -3.435 5.960 32 H CYS 6 HN CYS 6 -15.494 -3.286 4.710 33 HA CYS 6 HA CYS 6 -13.848 -5.773 4.754 34 1HB CYS 6 HB2 CYS 6 -13.151 -2.850 4.418 35 2HB CYS 6 HB1 CYS 6 -11.924 -4.073 4.747 36 H ILE 7 HN ILE 7 -14.099 -6.577 6.806 37 HA ILE 7 HA ILE 7 -13.916 -4.796 9.160 38 HB ILE 7 HB ILE 7 -14.275 -6.940 10.437 39 1HG1 ILE 7 HG12 ILE 7 -14.829 -8.181 7.737 40 2HG1 ILE 7 HG11 ILE 7 -13.247 -8.319 8.506 41 1HG2 ILE 7 HG21 ILE 7 -16.085 -5.367 9.270 42 2HG2 ILE 7 HG23 ILE 7 -16.405 -6.833 8.341 43 3HG2 ILE 7 HG22 ILE 7 -16.559 -6.851 10.099 44 1HD1 ILE 7 HD13 ILE 7 -15.614 -8.946 10.195 45 2HD1 ILE 7 HD12 ILE 7 -15.212 -10.107 8.929 46 3HD1 ILE 7 HD11 ILE 7 -14.021 -9.703 10.165 47 HA PRO 8 HA PRO 8 -9.634 -5.615 9.814 48 1HB PRO 8 HB2 PRO 8 -9.467 -5.290 12.541 49 2HB PRO 8 HB1 PRO 8 -9.638 -3.944 11.401 50 1HG PRO 8 HG2 PRO 8 -11.674 -5.126 13.229 51 2HG PRO 8 HG1 PRO 8 -11.577 -3.485 12.570 52 1HD PRO 8 HD2 PRO 8 -13.279 -5.553 11.645 53 2HD PRO 8 HD1 PRO 8 -12.941 -4.022 10.809 54 H GLY 9 HN GLY 9 -8.182 -7.327 10.546 55 1HA GLY 9 HA2 GLY 9 -7.546 -9.355 11.542 56 2HA GLY 9 HA1 GLY 9 -9.075 -9.380 12.406 57 H MET 10 HN MET 10 -10.033 -8.924 9.281 58 HA MET 10 HA MET 10 -9.889 -11.798 8.524 59 1HB MET 10 HB2 MET 10 -12.412 -10.148 8.795 60 2HB MET 10 HB1 MET 10 -12.343 -11.700 7.959 61 1HG MET 10 HG2 MET 10 -11.404 -11.340 10.811 62 2HG MET 10 HG1 MET 10 -13.056 -11.806 10.404 63 1HE MET 10 HE2 MET 10 -13.754 -13.391 9.094 64 2HE MET 10 HE1 MET 10 -12.773 -14.414 8.046 65 3HE MET 10 HE3 MET 10 -13.354 -15.031 9.599 66 H ALA 11 HN ALA 11 -8.990 -11.675 6.339 67 HA ALA 11 HA ALA 11 -8.986 -11.137 4.051 68 1HB ALA 11 HB2 ALA 11 -11.451 -10.278 4.500 69 2HB ALA 11 HB1 ALA 11 -10.686 -8.690 4.443 70 3HB ALA 11 HB3 ALA 11 -10.584 -9.768 3.052 71 H ILE 12 HN ILE 12 -9.175 -8.209 6.095 72 HA ILE 12 HA ILE 12 -6.600 -7.298 4.921 73 HB ILE 12 HB ILE 12 -8.750 -5.690 6.338 74 1HG1 ILE 12 HG12 ILE 12 -7.969 -5.722 3.406 75 2HG1 ILE 12 HG11 ILE 12 -9.374 -6.562 4.062 76 1HG2 ILE 12 HG23 ILE 12 -6.430 -4.813 6.591 77 2HG2 ILE 12 HG22 ILE 12 -6.273 -4.790 4.835 78 3HG2 ILE 12 HG21 ILE 12 -7.449 -3.743 5.630 79 1HD1 ILE 12 HD12 ILE 12 -9.952 -4.207 5.080 80 2HD1 ILE 12 HD11 ILE 12 -8.879 -3.609 3.814 81 3HD1 ILE 12 HD13 ILE 12 -10.317 -4.537 3.386 82 HA PRO 13 HA PRO 13 -5.673 -8.511 9.226 83 1HB PRO 13 HB2 PRO 13 -3.025 -9.111 8.850 84 2HB PRO 13 HB1 PRO 13 -4.352 -10.239 8.539 85 1HG PRO 13 HG2 PRO 13 -2.634 -8.814 6.594 86 2HG PRO 13 HG1 PRO 13 -3.623 -10.263 6.358 87 1HD PRO 13 HD2 PRO 13 -4.230 -7.580 5.568 88 2HD PRO 13 HD1 PRO 13 -5.282 -9.009 5.396 89 H HIS 14 HN HIS 14 -3.902 -7.794 10.797 90 HA HIS 14 HA HIS 14 -3.705 -4.926 10.725 91 1HB HIS 14 HB2 HIS 14 -2.483 -6.974 12.615 92 2HB HIS 14 HB1 HIS 14 -2.645 -5.257 12.913 93 HD1 HIS 14 HD1 HIS 14 -4.840 -4.445 13.887 94 HD2 HIS 14 HD2 HIS 14 -5.096 -8.306 12.342 95 HE1 HIS 14 HE1 HIS 14 -7.149 -5.309 14.503 96 H ASN 15 HN ASN 15 -1.773 -3.676 10.397 97 HA ASN 15 HA ASN 15 0.354 -3.150 9.615 98 1HB ASN 15 HB2 ASN 15 0.726 -5.722 11.071 99 2HB ASN 15 HB1 ASN 15 2.024 -5.246 9.976 100 1HD2 ASN 15 HD22 ASN 15 3.097 -2.536 11.998 101 2HD2 ASN 15 HD21 ASN 15 3.246 -3.312 10.496 102 HA PRO 16 HA PRO 16 -0.498 -5.733 5.792 103 1HB PRO 16 HB2 PRO 16 -1.834 -3.839 4.335 104 2HB PRO 16 HB1 PRO 16 -2.648 -4.968 5.432 105 1HG PRO 16 HG2 PRO 16 -2.115 -2.060 5.791 106 2HG PRO 16 HG1 PRO 16 -3.387 -3.062 6.505 107 1HD PRO 16 HD2 PRO 16 -0.997 -2.205 7.793 108 2HD PRO 16 HD1 PRO 16 -2.158 -3.411 8.385 109 H LEU 17 HN LEU 17 0.241 -5.251 3.547 110 HA LEU 17 HA LEU 17 1.968 -4.600 2.108 111 1HB LEU 17 HB2 LEU 17 1.187 -1.850 3.121 112 2HB LEU 17 HB1 LEU 17 1.909 -2.237 1.560 113 HG LEU 17 HG LEU 17 -0.772 -3.295 2.497 114 1HD1 LEU 17 HD11 LEU 17 -0.332 -0.699 1.912 115 2HD1 LEU 17 HD13 LEU 17 -0.555 -1.323 0.278 116 3HD1 LEU 17 HD12 LEU 17 -1.827 -1.528 1.482 117 1HD2 LEU 17 HD21 LEU 17 0.762 -3.409 -0.111 118 2HD2 LEU 17 HD23 LEU 17 0.183 -4.761 0.862 119 3HD2 LEU 17 HD22 LEU 17 -0.966 -3.747 -0.011 120 H ASP 18 HN ASP 18 3.096 -5.449 4.503 121 HA ASP 18 HA ASP 18 4.964 -3.484 5.576 122 1HB ASP 18 HB2 ASP 18 6.048 -5.474 6.653 123 2HB ASP 18 HB1 ASP 18 4.315 -5.371 6.973 124 H SER 19 HN SER 19 5.113 -6.061 3.191 125 HA SER 19 HA SER 19 7.931 -5.903 2.649 126 1HB SER 19 HB2 SER 19 6.084 -7.690 1.960 127 2HB SER 19 HB1 SER 19 5.982 -6.692 0.513 128 HG SER 19 HG SER 19 8.369 -7.782 1.608 129 H CYS 20 HN CYS 20 5.165 -4.035 1.623 130 HA CYS 20 HA CYS 20 6.425 -2.819 -0.684 131 1HB CYS 20 HB2 CYS 20 4.074 -1.809 0.923 132 2HB CYS 20 HB1 CYS 20 4.483 -1.393 -0.743 133 H ARG 21 HN ARG 21 5.916 -1.877 2.706 134 HA ARG 21 HA ARG 21 7.041 0.734 2.480 135 1HB ARG 21 HB2 ARG 21 5.842 0.541 4.437 136 2HB ARG 21 HB1 ARG 21 6.359 -1.104 4.750 137 1HG ARG 21 HG2 ARG 21 8.464 1.009 4.886 138 2HG ARG 21 HG1 ARG 21 7.254 1.010 6.170 139 1HD ARG 21 HD2 ARG 21 7.814 -1.638 6.069 140 2HD ARG 21 HD1 ARG 21 9.372 -0.982 5.567 141 HE ARG 21 HE ARG 21 9.136 0.462 7.725 142 1HH1 ARG 21 HH11 ARG 21 6.679 -1.710 7.843 143 2HH1 ARG 21 HH12 ARG 21 7.215 -2.559 9.255 144 1HH2 ARG 21 HH21 ARG 21 10.334 -1.055 9.307 145 2HH2 ARG 21 HH22 ARG 21 9.282 -2.192 10.080 146 H TRP 22 HN TRP 22 8.523 -2.444 3.286 147 HA TRP 22 HA TRP 22 11.163 -1.280 3.585 148 1HB TRP 22 HB2 TRP 22 10.217 -4.129 3.519 149 2HB TRP 22 HB1 TRP 22 11.923 -3.750 3.374 150 HD1 TRP 22 HD1 TRP 22 9.528 -4.417 5.956 151 HE1 TRP 22 HE1 TRP 22 10.293 -3.402 8.226 152 HE3 TRP 22 HE3 TRP 22 13.126 -1.413 4.255 153 HZ2 TRP 22 HZ2 TRP 22 12.275 -1.467 9.142 154 HZ3 TRP 22 HZ3 TRP 22 14.482 0.035 5.774 155 HH2 TRP 22 HH2 TRP 22 14.053 0.001 8.222 156 H TYR 23 HN TYR 23 9.294 -2.486 0.919 157 HA TYR 23 HA TYR 23 11.513 -2.882 -0.889 158 1HB TYR 23 HB2 TYR 23 9.287 -3.893 -1.297 159 2HB TYR 23 HB1 TYR 23 8.617 -2.281 -1.567 160 HD1 TYR 23 HD1 TYR 23 11.642 -4.240 -2.638 161 HD2 TYR 23 HD2 TYR 23 8.407 -1.667 -3.805 162 HE1 TYR 23 HE1 TYR 23 12.428 -4.314 -4.986 163 HE2 TYR 23 HE2 TYR 23 9.194 -1.748 -6.155 164 HH TYR 23 HH TYR 23 12.173 -2.689 -7.063 165 H VAL 24 HN VAL 24 9.631 -0.109 0.187 166 HA VAL 24 HA VAL 24 10.637 1.670 -1.911 167 HB VAL 24 HB VAL 24 9.557 2.427 0.815 168 1HG1 VAL 24 HG11 VAL 24 9.942 3.996 -1.749 169 2HG1 VAL 24 HG13 VAL 24 9.107 4.608 -0.321 170 3HG1 VAL 24 HG12 VAL 24 10.825 4.216 -0.240 171 1HG2 VAL 24 HG22 VAL 24 8.231 1.539 -1.680 172 2HG2 VAL 24 HG21 VAL 24 7.628 1.521 -0.023 173 3HG2 VAL 24 HG23 VAL 24 7.567 3.009 -0.968 174 H SER 25 HN SER 25 11.434 0.919 1.482 175 HA SER 25 HA SER 25 13.502 2.795 1.872 176 1HB SER 25 HB2 SER 25 13.882 0.039 2.962 177 2HB SER 25 HB1 SER 25 14.112 1.594 3.751 178 HG SER 25 HG SER 25 11.891 1.808 3.908 179 H THR 26 HN THR 26 13.670 -0.440 0.402 180 HA THR 26 HA THR 26 16.543 -0.376 -0.021 181 HB THR 26 HB THR 26 14.324 -2.226 -0.933 182 HG1 THR 26 HG1 THR 26 14.724 -2.744 1.064 183 1HG2 THR 26 HG21 THR 26 17.304 -2.507 -1.441 184 2HG2 THR 26 HG23 THR 26 16.120 -3.795 -1.666 185 3HG2 THR 26 HG22 THR 26 16.045 -2.345 -2.666 186 H ARG 27 HN ARG 27 13.797 -0.254 -2.308 187 HA ARG 27 HA ARG 27 15.323 0.165 -4.656 188 1HB ARG 27 HB2 ARG 27 12.927 -0.482 -4.644 189 2HB ARG 27 HB1 ARG 27 12.507 1.130 -4.064 190 1HG ARG 27 HG2 ARG 27 12.823 2.089 -6.110 191 2HG ARG 27 HG1 ARG 27 14.220 1.079 -6.479 192 1HD ARG 27 HD2 ARG 27 12.231 -0.786 -6.499 193 2HD ARG 27 HD1 ARG 27 11.359 0.633 -7.079 194 HE ARG 27 HE ARG 27 13.623 -0.689 -8.457 195 1HH1 ARG 27 HH21 ARG 27 12.562 2.461 -8.127 196 2HH1 ARG 27 HH22 ARG 27 12.213 2.715 -9.804 197 1HH2 ARG 27 HH11 ARG 27 12.654 -0.607 -10.681 198 2HH2 ARG 27 HH12 ARG 27 12.264 0.982 -11.245 199 H THR 28 HN THR 28 14.406 2.384 -2.128 200 HA THR 28 HA THR 28 15.110 4.730 -3.780 201 HB THR 28 HB THR 28 14.084 6.070 -2.034 202 HG1 THR 28 HG1 THR 28 13.274 5.009 -0.165 203 1HG2 THR 28 HG23 THR 28 12.592 3.570 -2.788 204 2HG2 THR 28 HG22 THR 28 11.836 4.864 -1.861 205 3HG2 THR 28 HG21 THR 28 12.450 5.186 -3.481 206 H CYS 29 HN CYS 29 15.963 3.766 -0.394 207 HA CYS 29 HA CYS 29 18.529 5.217 -0.739 208 1HB CYS 29 HB2 CYS 29 16.893 4.453 1.659 209 2HB CYS 29 HB1 CYS 29 18.606 4.823 1.839 210 H GLY 30 HN GLY 30 17.752 2.277 -1.486 211 1HA GLY 30 HA2 GLY 30 18.868 0.196 -1.555 212 2HA GLY 30 HA1 GLY 30 20.333 1.121 -1.223 213 H VAL 31 HN VAL 31 17.752 1.352 1.100 214 HA VAL 31 HA VAL 31 19.329 -0.306 3.025 215 HB VAL 31 HB VAL 31 17.227 1.795 3.636 216 1HG1 VAL 31 HG13 VAL 31 19.307 0.380 5.331 217 2HG1 VAL 31 HG12 VAL 31 18.291 1.709 5.892 218 3HG1 VAL 31 HG11 VAL 31 17.558 0.174 5.432 219 1HG2 VAL 31 HG22 VAL 31 20.215 1.964 3.281 220 2HG2 VAL 31 HG21 VAL 31 18.965 3.045 2.668 221 3HG2 VAL 31 HG23 VAL 31 19.382 3.064 4.380 222 H GLY 32 HN GLY 32 18.014 -1.608 4.582 223 1HA GLY 32 HA2 GLY 32 15.559 -2.323 5.010 224 2HA GLY 32 HA1 GLY 32 15.557 -2.601 3.264 225 HA PRO 33 HA PRO 33 17.196 -6.449 5.552 226 1HB PRO 33 HB2 PRO 33 15.307 -8.258 4.630 227 2HB PRO 33 HB1 PRO 33 15.206 -7.413 6.183 228 1HG PRO 33 HG2 PRO 33 13.752 -6.851 3.627 229 2HG PRO 33 HG1 PRO 33 13.204 -6.651 5.301 230 1HD PRO 33 HD2 PRO 33 14.021 -4.569 3.709 231 2HD PRO 33 HD1 PRO 33 14.090 -4.546 5.488 232 H ARG 34 HN ARG 34 17.876 -8.589 4.272 233 HA ARG 34 HA ARG 34 18.830 -7.659 1.640 234 1HB ARG 34 HB2 ARG 34 20.293 -9.702 1.760 235 2HB ARG 34 HB1 ARG 34 20.532 -8.563 3.082 236 1HG ARG 34 HG2 ARG 34 19.623 -9.979 4.652 237 2HG ARG 34 HG1 ARG 34 18.517 -10.725 3.499 238 1HD ARG 34 HD2 ARG 34 20.684 -11.668 2.392 239 2HD ARG 34 HD1 ARG 34 21.442 -11.289 3.938 240 HE ARG 34 HE ARG 34 18.986 -12.857 4.190 241 1HH1 ARG 34 HH21 ARG 34 20.916 -13.269 6.251 242 2HH1 ARG 34 HH22 ARG 34 21.797 -14.678 5.764 243 1HH2 ARG 34 HH11 ARG 34 20.766 -14.504 2.455 244 2HH2 ARG 34 HH12 ARG 34 21.712 -15.379 3.615 245 H LEU 35 HN LEU 35 16.819 -7.835 0.560 246 HA LEU 35 HA LEU 35 16.227 -10.594 -0.403 247 1HB LEU 35 HB2 LEU 35 14.146 -8.482 0.261 248 2HB LEU 35 HB1 LEU 35 13.822 -10.084 -0.404 249 HG LEU 35 HG LEU 35 15.332 -9.741 2.184 250 1HD1 LEU 35 HD11 LEU 35 12.407 -9.506 1.656 251 2HD1 LEU 35 HD13 LEU 35 12.902 -10.448 3.063 252 3HD1 LEU 35 HD12 LEU 35 13.386 -8.757 2.918 253 1HD2 LEU 35 HD23 LEU 35 14.063 -11.947 0.627 254 2HD2 LEU 35 HD22 LEU 35 15.549 -11.953 1.578 255 3HD2 LEU 35 HD21 LEU 35 13.984 -12.052 2.386 256 H ALA 36 HN ALA 36 15.940 -10.688 -2.631 257 HA ALA 36 HA ALA 36 16.955 -8.633 -4.281 258 1HB ALA 36 HB2 ALA 36 15.359 -11.119 -4.770 259 2HB ALA 36 HB1 ALA 36 15.548 -9.972 -6.096 260 3HB ALA 36 HB3 ALA 36 16.971 -10.691 -5.343 261 H THR 37 HN THR 37 15.757 -7.349 -5.952 262 HA THR 37 HA THR 37 13.551 -5.894 -4.768 263 HB THR 37 HB THR 37 13.538 -4.919 -7.250 264 HG1 THR 37 HG1 THR 37 14.899 -6.262 -8.256 265 1HG2 THR 37 HG21 THR 37 14.465 -4.040 -4.914 266 2HG2 THR 37 HG23 THR 37 16.017 -4.291 -5.713 267 3HG2 THR 37 HG22 THR 37 14.826 -3.201 -6.424 268 H GLN 38 HN GLN 38 13.707 -7.805 -7.802 269 HA GLN 38 HA GLN 38 10.969 -7.658 -8.452 270 1HB GLN 38 HB2 GLN 38 12.864 -8.656 -9.840 271 2HB GLN 38 HB1 GLN 38 12.674 -10.124 -8.884 272 1HG GLN 38 HG2 GLN 38 10.397 -10.401 -9.629 273 2HG GLN 38 HG1 GLN 38 10.406 -8.819 -10.409 274 1HE2 GLN 38 HE22 GLN 38 12.991 -11.440 -12.220 275 2HE2 GLN 38 HE21 GLN 38 13.107 -11.165 -10.549 276 H GLU 39 HN GLU 39 12.593 -9.822 -6.196 277 HA GLU 39 HA GLU 39 10.422 -11.617 -5.700 278 1HB GLU 39 HB2 GLU 39 12.747 -10.756 -3.958 279 2HB GLU 39 HB1 GLU 39 11.637 -12.061 -3.537 280 1HG GLU 39 HG2 GLU 39 13.092 -12.023 -6.180 281 2HG GLU 39 HG1 GLU 39 13.822 -12.723 -4.734 282 H MET 40 HN MET 40 11.573 -8.859 -3.727 283 HA MET 40 HA MET 40 9.519 -8.768 -1.803 284 1HB MET 40 HB2 MET 40 11.683 -7.320 -2.143 285 2HB MET 40 HB1 MET 40 10.599 -6.238 -2.996 286 1HG MET 40 HG2 MET 40 9.252 -5.866 -1.100 287 2HG MET 40 HG1 MET 40 9.889 -7.279 -0.261 288 1HE MET 40 HE2 MET 40 10.976 -7.155 1.462 289 2HE MET 40 HE1 MET 40 12.639 -7.211 0.879 290 3HE MET 40 HE3 MET 40 12.153 -5.989 2.063 291 H LYS 41 HN LYS 41 9.722 -7.127 -4.918 292 HA LYS 41 HA LYS 41 7.256 -5.735 -4.887 293 1HB LYS 41 HB2 LYS 41 9.116 -5.551 -6.619 294 2HB LYS 41 HB1 LYS 41 8.457 -7.009 -7.359 295 1HG LYS 41 HG2 LYS 41 6.204 -5.790 -7.398 296 2HG LYS 41 HG1 LYS 41 7.114 -4.324 -7.027 297 1HD LYS 41 HD2 LYS 41 7.946 -6.098 -9.314 298 2HD LYS 41 HD1 LYS 41 6.667 -4.902 -9.527 299 1HE LYS 41 HE2 LYS 41 8.415 -3.288 -8.373 300 2HE LYS 41 HE1 LYS 41 9.578 -4.479 -8.956 301 1HZ LYS 41 HZ1 LYS 41 8.456 -4.243 -11.176 302 2HZ LYS 41 HZ3 LYS 41 7.653 -2.887 -10.547 303 3HZ LYS 41 HZ2 LYS 41 9.349 -2.894 -10.657 304 H ALA 42 HN ALA 42 7.976 -9.096 -5.769 305 HA ALA 42 HA ALA 42 5.357 -9.779 -6.755 306 1HB ALA 42 HB3 ALA 42 7.814 -11.229 -5.955 307 2HB ALA 42 HB2 ALA 42 6.317 -12.146 -5.786 308 3HB ALA 42 HB1 ALA 42 6.768 -11.477 -7.354 309 H ARG 43 HN ARG 43 6.848 -9.737 -3.561 310 HA ARG 43 HA ARG 43 4.797 -11.117 -2.116 311 1HB ARG 43 HB2 ARG 43 7.067 -9.327 -1.450 312 2HB ARG 43 HB1 ARG 43 5.773 -9.397 -0.257 313 1HG ARG 43 HG2 ARG 43 7.436 -11.117 0.240 314 2HG ARG 43 HG1 ARG 43 5.935 -11.884 -0.282 315 1HD ARG 43 HD2 ARG 43 6.809 -12.512 -2.340 316 2HD ARG 43 HD1 ARG 43 7.996 -11.218 -2.346 317 HE ARG 43 HE ARG 43 9.467 -12.862 -1.538 318 1HH1 ARG 43 HH11 ARG 43 9.458 -12.975 1.104 319 2HH1 ARG 43 HH12 ARG 43 8.571 -14.372 1.615 320 1HH2 ARG 43 HH21 ARG 43 6.962 -14.787 -1.435 321 2HH2 ARG 43 HH22 ARG 43 7.155 -15.401 0.173 322 H CYS 44 HN CYS 44 5.292 -7.706 -2.921 323 HA CYS 44 HA CYS 44 3.057 -6.656 -1.462 324 1HB CYS 44 HB2 CYS 44 4.691 -5.627 -3.761 325 2HB CYS 44 HB1 CYS 44 3.243 -4.768 -3.214 326 H CYS 45 HN CYS 45 3.401 -7.861 -4.830 327 HA CYS 45 HA CYS 45 0.737 -7.078 -5.655 328 1HB CYS 45 HB2 CYS 45 2.640 -9.164 -6.774 329 2HB CYS 45 HB1 CYS 45 1.116 -8.723 -7.524 330 H ARG 46 HN ARG 46 2.086 -9.836 -3.978 331 HA ARG 46 HA ARG 46 -0.230 -11.564 -4.305 332 1HB ARG 46 HB2 ARG 46 2.227 -12.148 -3.627 333 2HB ARG 46 HB1 ARG 46 1.693 -11.770 -2.005 334 1HG ARG 46 HG2 ARG 46 0.643 -13.740 -1.811 335 2HG ARG 46 HG1 ARG 46 -0.293 -13.427 -3.272 336 1HD ARG 46 HD2 ARG 46 2.561 -14.433 -3.327 337 2HD ARG 46 HD1 ARG 46 1.160 -15.503 -3.357 338 HE ARG 46 HE ARG 46 1.093 -13.425 -5.416 339 1HH1 ARG 46 HH11 ARG 46 3.388 -15.745 -5.031 340 2HH1 ARG 46 HH12 ARG 46 2.956 -16.700 -6.411 341 1HH2 ARG 46 HH21 ARG 46 -0.018 -15.012 -6.983 342 2HH2 ARG 46 HH22 ARG 46 1.029 -16.285 -7.515 343 H GLN 47 HN GLN 47 0.838 -9.112 -2.010 344 HA GLN 47 HA GLN 47 -1.217 -9.702 -0.019 345 1HB GLN 47 HB2 GLN 47 0.413 -7.177 -0.456 346 2HB GLN 47 HB1 GLN 47 -0.538 -7.547 0.981 347 1HG GLN 47 HG2 GLN 47 1.175 -9.789 0.459 348 2HG GLN 47 HG1 GLN 47 2.156 -8.326 0.391 349 1HE2 GLN 47 HE22 GLN 47 2.337 -8.408 3.911 350 2HE2 GLN 47 HE21 GLN 47 3.177 -8.373 2.437 351 H LEU 48 HN LEU 48 -0.908 -7.544 -2.786 352 HA LEU 48 HA LEU 48 -3.372 -6.090 -2.299 353 1HB LEU 48 HB2 LEU 48 -1.288 -5.377 -3.687 354 2HB LEU 48 HB1 LEU 48 -2.024 -6.322 -4.982 355 HG LEU 48 HG LEU 48 -3.889 -4.497 -3.590 356 1HD1 LEU 48 HD11 LEU 48 -1.548 -3.317 -3.810 357 2HD1 LEU 48 HD13 LEU 48 -1.972 -3.221 -5.520 358 3HD1 LEU 48 HD12 LEU 48 -3.007 -2.461 -4.310 359 1HD2 LEU 48 HD21 LEU 48 -3.185 -5.096 -6.480 360 2HD2 LEU 48 HD23 LEU 48 -4.568 -5.716 -5.578 361 3HD2 LEU 48 HD22 LEU 48 -4.478 -4.003 -5.984 362 H GLU 49 HN GLU 49 -2.489 -9.051 -3.971 363 HA GLU 49 HA GLU 49 -4.987 -9.237 -5.476 364 1HB GLU 49 HB2 GLU 49 -2.530 -10.855 -5.154 365 2HB GLU 49 HB1 GLU 49 -3.995 -11.812 -5.373 366 1HG GLU 49 HG2 GLU 49 -3.697 -9.463 -7.168 367 2HG GLU 49 HG1 GLU 49 -2.575 -10.796 -7.446 368 H ALA 50 HN ALA 50 -3.645 -10.946 -2.605 369 HA ALA 50 HA ALA 50 -5.931 -12.473 -1.901 370 1HB ALA 50 HB2 ALA 50 -3.589 -11.361 -0.420 371 2HB ALA 50 HB1 ALA 50 -4.978 -11.852 0.552 372 3HB ALA 50 HB3 ALA 50 -4.177 -13.022 -0.498 373 H ILE 51 HN ILE 51 -4.979 -9.188 -1.065 374 HA ILE 51 HA ILE 51 -7.381 -8.453 0.364 375 HB ILE 51 HB ILE 51 -5.243 -6.810 -1.037 376 1HG1 ILE 51 HG12 ILE 51 -4.586 -8.192 0.978 377 2HG1 ILE 51 HG11 ILE 51 -4.328 -6.462 1.168 378 1HG2 ILE 51 HG22 ILE 51 -7.817 -6.003 0.089 379 2HG2 ILE 51 HG21 ILE 51 -6.466 -5.180 0.869 380 3HG2 ILE 51 HG23 ILE 51 -6.676 -5.071 -0.879 381 1HD1 ILE 51 HD11 ILE 51 -6.860 -7.812 2.131 382 2HD1 ILE 51 HD13 ILE 51 -5.421 -7.692 3.143 383 3HD1 ILE 51 HD12 ILE 51 -6.229 -6.230 2.582 384 HA PRO 52 HA PRO 52 -9.556 -8.763 -3.598 385 1HB PRO 52 HB2 PRO 52 -12.047 -8.048 -2.621 386 2HB PRO 52 HB1 PRO 52 -11.385 -9.692 -2.590 387 1HG PRO 52 HG2 PRO 52 -11.528 -7.672 -0.369 388 2HG PRO 52 HG1 PRO 52 -11.703 -9.436 -0.294 389 1HD PRO 52 HD2 PRO 52 -9.392 -8.149 0.448 390 2HD PRO 52 HD1 PRO 52 -9.408 -9.796 -0.216 391 H ALA 53 HN ALA 53 -10.361 -7.280 -5.108 392 HA ALA 53 HA ALA 53 -9.289 -4.780 -5.346 393 1HB ALA 53 HB1 ALA 53 -11.971 -5.737 -6.335 394 2HB ALA 53 HB3 ALA 53 -11.225 -4.228 -6.861 395 3HB ALA 53 HB2 ALA 53 -10.432 -5.768 -7.194 396 H TYR 54 HN TYR 54 -12.140 -5.542 -3.431 397 HA TYR 54 HA TYR 54 -12.966 -2.788 -3.027 398 1HB TYR 54 HB2 TYR 54 -13.960 -5.384 -2.388 399 2HB TYR 54 HB1 TYR 54 -13.800 -4.512 -0.866 400 HD1 TYR 54 HD2 TYR 54 -14.865 -2.219 -0.644 401 HD2 TYR 54 HD1 TYR 54 -15.684 -4.856 -3.934 402 HE1 TYR 54 HE2 TYR 54 -16.916 -0.928 -1.167 403 HE2 TYR 54 HE1 TYR 54 -17.736 -3.565 -4.458 404 HH TYR 54 HH TYR 54 -18.420 -0.908 -3.913 405 H CYS 55 HN CYS 55 -12.182 -1.352 -1.561 406 HA CYS 55 HA CYS 55 -11.038 -0.455 0.287 407 1HB CYS 55 HB2 CYS 55 -10.512 -3.272 1.251 408 2HB CYS 55 HB1 CYS 55 -10.607 -1.792 2.202 409 H ARG 56 HN ARG 56 -9.635 -2.136 -2.195 410 HA ARG 56 HA ARG 56 -7.042 -2.854 -1.410 411 1HB ARG 56 HB2 ARG 56 -8.338 -2.434 -3.862 412 2HB ARG 56 HB1 ARG 56 -6.948 -1.358 -3.919 413 1HG ARG 56 HG2 ARG 56 -5.933 -3.277 -4.668 414 2HG ARG 56 HG1 ARG 56 -5.705 -3.501 -2.937 415 1HD ARG 56 HD2 ARG 56 -6.989 -5.335 -2.934 416 2HD ARG 56 HD1 ARG 56 -8.316 -4.480 -3.699 417 HE ARG 56 HE ARG 56 -6.934 -6.472 -5.013 418 1HH1 ARG 56 HH21 ARG 56 -7.999 -3.283 -5.663 419 2HH1 ARG 56 HH22 ARG 56 -7.417 -3.271 -7.291 420 1HH2 ARG 56 HH11 ARG 56 -5.829 -6.341 -7.047 421 2HH2 ARG 56 HH12 ARG 56 -6.195 -4.996 -8.077 422 H CYS 57 HN CYS 57 -7.236 0.262 -3.175 423 HA CYS 57 HA CYS 57 -5.002 1.514 -2.206 424 1HB CYS 57 HB2 CYS 57 -7.686 2.858 -2.609 425 2HB CYS 57 HB1 CYS 57 -6.123 3.680 -2.586 426 H GLU 58 HN GLU 58 -8.116 1.582 -0.308 427 HA GLU 58 HA GLU 58 -7.567 3.272 1.754 428 1HB GLU 58 HB2 GLU 58 -9.537 1.671 1.462 429 2HB GLU 58 HB1 GLU 58 -8.554 0.478 2.313 430 1HG GLU 58 HG2 GLU 58 -8.400 1.882 4.264 431 2HG GLU 58 HG1 GLU 58 -9.138 3.239 3.410 432 H ALA 59 HN ALA 59 -6.349 -0.142 1.735 433 HA ALA 59 HA ALA 59 -5.001 -0.271 4.141 434 1HB ALA 59 HB1 ALA 59 -5.085 -2.070 2.403 435 2HB ALA 59 HB3 ALA 59 -3.801 -1.223 1.541 436 3HB ALA 59 HB2 ALA 59 -3.499 -1.878 3.150 437 H VAL 60 HN VAL 60 -3.644 1.182 1.205 438 HA VAL 60 HA VAL 60 -1.095 1.921 2.140 439 HB VAL 60 HB VAL 60 -2.875 3.538 0.289 440 1HG1 VAL 60 HG12 VAL 60 -0.673 4.516 1.251 441 2HG1 VAL 60 HG11 VAL 60 0.135 3.330 0.222 442 3HG1 VAL 60 HG13 VAL 60 -0.902 4.566 -0.500 443 1HG2 VAL 60 HG22 VAL 60 -2.241 0.932 -0.108 444 2HG2 VAL 60 HG21 VAL 60 -2.382 2.095 -1.425 445 3HG2 VAL 60 HG23 VAL 60 -0.796 1.692 -0.771 446 H ARG 61 HN ARG 61 -4.173 3.670 2.327 447 HA ARG 61 HA ARG 61 -3.237 5.998 3.692 448 1HB ARG 61 HB2 ARG 61 -5.863 4.721 3.196 449 2HB ARG 61 HB1 ARG 61 -5.790 5.772 4.609 450 1HG ARG 61 HG2 ARG 61 -6.130 7.469 3.150 451 2HG ARG 61 HG1 ARG 61 -4.435 7.255 2.717 452 1HD ARG 61 HD2 ARG 61 -4.987 6.521 0.660 453 2HD ARG 61 HD1 ARG 61 -6.100 5.324 1.323 454 HE ARG 61 HE ARG 61 -7.009 8.148 1.148 455 1HH1 ARG 61 HH11 ARG 61 -6.692 5.793 -1.103 456 2HH1 ARG 61 HH12 ARG 61 -8.381 5.526 -1.379 457 1HH2 ARG 61 HH21 ARG 61 -9.388 7.408 1.357 458 2HH2 ARG 61 HH22 ARG 61 -9.911 6.444 0.017 459 H ILE 62 HN ILE 62 -4.148 2.804 4.888 460 HA ILE 62 HA ILE 62 -4.193 3.542 7.697 461 HB ILE 62 HB ILE 62 -4.052 0.926 6.169 462 1HG1 ILE 62 HG12 ILE 62 -6.079 0.852 8.096 463 2HG1 ILE 62 HG11 ILE 62 -6.078 2.526 7.547 464 1HG2 ILE 62 HG23 ILE 62 -3.292 1.355 9.017 465 2HG2 ILE 62 HG22 ILE 62 -4.360 -0.008 8.682 466 3HG2 ILE 62 HG21 ILE 62 -2.786 0.092 7.893 467 1HD1 ILE 62 HD11 ILE 62 -6.131 0.139 5.686 468 2HD1 ILE 62 HD13 ILE 62 -7.573 1.005 6.213 469 3HD1 ILE 62 HD12 ILE 62 -6.352 1.832 5.249 470 H LEU 63 HN LEU 63 -1.693 2.679 5.397 471 HA LEU 63 HA LEU 63 0.300 2.215 7.464 472 1HB LEU 63 HB2 LEU 63 0.267 1.336 4.994 473 2HB LEU 63 HB1 LEU 63 0.959 2.906 4.603 474 HG LEU 63 HG LEU 63 2.706 1.179 4.916 475 1HD1 LEU 63 HD13 LEU 63 2.824 3.712 5.776 476 2HD1 LEU 63 HD12 LEU 63 3.045 2.898 7.324 477 3HD1 LEU 63 HD11 LEU 63 4.163 2.586 5.998 478 1HD2 LEU 63 HD21 LEU 63 1.151 0.116 6.818 479 2HD2 LEU 63 HD23 LEU 63 2.898 -0.131 6.798 480 3HD2 LEU 63 HD22 LEU 63 2.191 1.094 7.853 481 H MET 64 HN MET 64 -0.568 4.961 5.397 482 HA MET 64 HA MET 64 1.626 6.606 6.396 483 1HB MET 64 HB2 MET 64 0.592 6.920 4.130 484 2HB MET 64 HB1 MET 64 -0.882 7.491 4.913 485 1HG MET 64 HG2 MET 64 0.596 9.211 6.106 486 2HG MET 64 HG1 MET 64 1.863 8.762 4.964 487 1HE MET 64 HE2 MET 64 -0.590 11.019 5.895 488 2HE MET 64 HE1 MET 64 -1.454 11.657 4.497 489 3HE MET 64 HE3 MET 64 -1.924 10.106 5.200 490 H ASP 65 HN ASP 65 -1.927 6.739 6.805 491 HA ASP 65 HA ASP 65 -1.665 8.659 8.996 492 1HB ASP 65 HB2 ASP 65 -4.091 7.473 7.604 493 2HB ASP 65 HB1 ASP 65 -4.244 8.275 9.167 494 H GLY 66 HN GLY 66 -1.900 5.180 8.740 495 1HA GLY 66 HA2 GLY 66 -1.506 3.672 10.553 496 2HA GLY 66 HA1 GLY 66 -1.727 5.005 11.684 497 H VAL 67 HN VAL 67 -2.981 2.308 11.622 498 HA VAL 67 HA VAL 67 -5.865 3.100 11.457 499 HB VAL 67 HB VAL 67 -5.313 1.385 9.827 500 1HG1 VAL 67 HG13 VAL 67 -4.252 -0.135 12.225 501 2HG1 VAL 67 HG12 VAL 67 -4.474 -0.839 10.622 502 3HG1 VAL 67 HG11 VAL 67 -3.312 0.467 10.858 503 1HG2 VAL 67 HG21 VAL 67 -7.504 1.247 11.019 504 2HG2 VAL 67 HG23 VAL 67 -6.925 -0.328 10.476 505 3HG2 VAL 67 HG22 VAL 67 -6.771 0.132 12.172 506 H VAL 68 HN VAL 68 -7.279 2.075 13.081 507 HA VAL 68 HA VAL 68 -5.819 1.555 15.632 508 HB VAL 68 HB VAL 68 -8.501 2.896 15.168 509 1HG1 VAL 68 HG13 VAL 68 -7.111 2.190 17.781 510 2HG1 VAL 68 HG12 VAL 68 -8.553 3.196 17.638 511 3HG1 VAL 68 HG11 VAL 68 -8.621 1.491 17.194 512 1HG2 VAL 68 HG22 VAL 68 -5.737 3.762 15.924 513 2HG2 VAL 68 HG21 VAL 68 -6.893 4.541 14.845 514 3HG2 VAL 68 HG23 VAL 68 -7.108 4.646 16.593 515 H THR 69 HN THR 69 -6.819 0.134 17.120 516 HA THR 69 HA THR 69 -8.399 -2.066 15.881 517 HB THR 69 HB THR 69 -7.240 -3.512 17.605 518 HG1 THR 69 HG1 THR 69 -6.473 -1.219 18.545 519 1HG2 THR 69 HG23 THR 69 -6.550 -3.173 15.156 520 2HG2 THR 69 HG22 THR 69 -5.268 -2.139 15.787 521 3HG2 THR 69 HG21 THR 69 -5.334 -3.841 16.245 522 H SER 70 HN SER 70 -9.727 -3.255 17.388 523 HA SER 70 HA SER 70 -11.475 -1.618 18.919 524 1HB SER 70 HB2 SER 70 -11.992 -3.851 17.794 525 2HB SER 70 HB1 SER 70 -11.205 -4.614 19.173 526 HG SER 70 HG SER 70 -12.716 -3.369 20.488 527 H SER 71 HN SER 71 -8.785 -3.636 19.789 528 HA SER 71 HA SER 71 -9.142 -3.662 22.630 529 1HB SER 71 HB2 SER 71 -6.581 -4.024 22.594 530 2HB SER 71 HB1 SER 71 -7.586 -5.227 21.787 531 HG SER 71 HG SER 71 -5.750 -4.421 20.552 532 H GLY 72 HN GLY 72 -8.161 -1.155 20.467 533 1HA GLY 72 HA2 GLY 72 -8.079 1.172 21.209 534 2HA GLY 72 HA1 GLY 72 -7.535 0.597 22.787 535 H GLN 73 HN GLN 73 -5.942 -1.145 20.314 536 HA GLN 73 HA GLN 73 -3.470 0.454 20.793 537 1HB GLN 73 HB2 GLN 73 -3.876 -2.301 19.589 538 2HB GLN 73 HB1 GLN 73 -2.309 -1.532 19.847 539 1HG GLN 73 HG2 GLN 73 -4.244 -1.792 22.134 540 2HG GLN 73 HG1 GLN 73 -3.235 -3.165 21.676 541 1HE2 GLN 73 HE22 GLN 73 -1.550 0.057 23.525 542 2HE2 GLN 73 HE21 GLN 73 -3.179 0.094 23.048 543 H HIS 74 HN HIS 74 -2.063 0.995 18.939 544 HA HIS 74 HA HIS 74 -3.603 1.368 16.400 545 1HB HIS 74 HB2 HIS 74 -1.500 3.028 17.772 546 2HB HIS 74 HB1 HIS 74 -1.835 3.213 16.069 547 HD1 HIS 74 HD1 HIS 74 -2.983 5.474 16.118 548 HD2 HIS 74 HD2 HIS 74 -4.692 2.762 18.779 549 HE1 HIS 74 HE1 HIS 74 -5.088 6.568 17.003 550 H GLU 75 HN GLU 75 -2.348 1.128 14.441 551 HA GLU 75 HA GLU 75 0.305 -0.153 14.685 552 1HB GLU 75 HB2 GLU 75 -2.032 -1.372 13.198 553 2HB GLU 75 HB1 GLU 75 -0.361 -1.912 13.060 554 1HG GLU 75 HG2 GLU 75 -0.379 -2.952 15.084 555 2HG GLU 75 HG1 GLU 75 -1.387 -1.717 15.828 556 H GLY 76 HN GLY 76 0.953 -0.714 12.198 557 1HA GLY 76 HA2 GLY 76 1.679 0.230 10.182 558 2HA GLY 76 HA1 GLY 76 0.105 1.031 10.114 559 H ARG 77 HN ARG 77 0.832 3.061 9.484 560 HA ARG 77 HA ARG 77 1.748 5.216 9.720 561 1HB ARG 77 HB2 ARG 77 0.725 4.363 12.263 562 2HB ARG 77 HB1 ARG 77 2.179 5.317 12.544 563 1HG ARG 77 HG2 ARG 77 0.296 6.394 10.513 564 2HG ARG 77 HG1 ARG 77 -0.271 6.423 12.183 565 1HD ARG 77 HD2 ARG 77 1.629 7.706 12.896 566 2HD ARG 77 HD1 ARG 77 2.443 7.473 11.349 567 HE ARG 77 HE ARG 77 0.366 8.803 10.435 568 1HH1 ARG 77 HH11 ARG 77 -1.119 10.235 11.901 569 2HH1 ARG 77 HH12 ARG 77 -0.218 11.441 12.759 570 1HH2 ARG 77 HH21 ARG 77 2.848 9.910 12.228 571 2HH2 ARG 77 HH22 ARG 77 2.027 11.257 12.944 572 H LEU 78 HN LEU 78 3.603 2.731 9.649 573 HA LEU 78 HA LEU 78 5.939 3.540 11.202 574 1HB LEU 78 HB2 LEU 78 5.454 1.371 9.149 575 2HB LEU 78 HB1 LEU 78 7.032 1.649 9.891 576 HG LEU 78 HG LEU 78 4.539 1.275 11.554 577 1HD1 LEU 78 HD12 LEU 78 5.263 -0.661 9.872 578 2HD1 LEU 78 HD11 LEU 78 6.472 -0.966 11.118 579 3HD1 LEU 78 HD13 LEU 78 4.756 -1.027 11.520 580 1HD2 LEU 78 HD22 LEU 78 7.424 1.647 12.016 581 2HD2 LEU 78 HD21 LEU 78 6.069 1.889 13.118 582 3HD2 LEU 78 HD23 LEU 78 6.748 0.278 12.898 583 H LEU 79 HN LEU 79 4.658 4.380 8.106 584 HA LEU 79 HA LEU 79 7.000 4.822 6.573 585 1HB LEU 79 HB2 LEU 79 4.502 5.055 5.904 586 2HB LEU 79 HB1 LEU 79 4.633 6.698 6.532 587 HG LEU 79 HG LEU 79 6.794 5.818 4.691 588 1HD1 LEU 79 HD13 LEU 79 3.906 6.000 3.934 589 2HD1 LEU 79 HD12 LEU 79 5.097 6.665 2.817 590 3HD1 LEU 79 HD11 LEU 79 5.173 4.963 3.277 591 1HD2 LEU 79 HD22 LEU 79 5.375 8.287 5.534 592 2HD2 LEU 79 HD21 LEU 79 7.078 8.045 5.144 593 3HD2 LEU 79 HD23 LEU 79 5.898 8.249 3.850 594 H GLN 80 HN GLN 80 8.651 5.634 7.896 595 HA GLN 80 HA GLN 80 8.342 8.484 8.752 596 1HB GLN 80 HB2 GLN 80 9.841 6.271 10.186 597 2HB GLN 80 HB1 GLN 80 9.855 7.972 10.651 598 1HG GLN 80 HG2 GLN 80 7.306 6.360 10.405 599 2HG GLN 80 HG1 GLN 80 8.197 6.517 11.918 600 1HE2 GLN 80 HE22 GLN 80 5.563 9.296 11.316 601 2HE2 GLN 80 HE21 GLN 80 5.469 7.644 10.934 602 H ASP 81 HN ASP 81 10.700 9.304 9.261 603 HA ASP 81 HA ASP 81 12.129 9.247 6.740 604 1HB ASP 81 HB2 ASP 81 12.930 10.509 9.389 605 2HB ASP 81 HB1 ASP 81 13.636 10.851 7.808 606 H LEU 82 HN LEU 82 13.240 7.456 6.275 607 HA LEU 82 HA LEU 82 14.754 5.911 8.263 608 1HB LEU 82 HB2 LEU 82 14.201 5.700 5.300 609 2HB LEU 82 HB1 LEU 82 15.474 4.728 6.015 610 HG LEU 82 HG LEU 82 12.666 4.786 7.139 611 1HD1 LEU 82 HD13 LEU 82 13.807 3.255 4.840 612 2HD1 LEU 82 HD12 LEU 82 12.727 2.400 5.943 613 3HD1 LEU 82 HD11 LEU 82 12.162 3.839 5.093 614 1HD2 LEU 82 HD21 LEU 82 15.071 2.968 7.445 615 2HD2 LEU 82 HD23 LEU 82 14.270 3.914 8.699 616 3HD2 LEU 82 HD22 LEU 82 13.457 2.517 7.994 617 HA PRO 83 HA PRO 83 18.569 8.014 7.696 618 1HB PRO 83 HB2 PRO 83 20.452 6.061 7.177 619 2HB PRO 83 HB1 PRO 83 19.791 6.417 8.782 620 1HG PRO 83 HG2 PRO 83 19.127 4.164 6.926 621 2HG PRO 83 HG1 PRO 83 19.120 4.197 8.698 622 1HD PRO 83 HD2 PRO 83 16.838 4.349 7.132 623 2HD PRO 83 HD1 PRO 83 16.936 4.944 8.797 624 H GLY 84 HN GLY 84 18.272 9.253 5.917 625 1HA GLY 84 HA2 GLY 84 19.320 10.010 3.877 626 2HA GLY 84 HA1 GLY 84 19.520 8.332 3.363 627 H CYS 85 HN CYS 85 16.447 8.116 4.478 628 HA CYS 85 HA CYS 85 15.251 9.243 1.993 629 1HB CYS 85 HB2 CYS 85 14.928 6.528 3.184 630 2HB CYS 85 HB1 CYS 85 13.558 7.251 2.347 631 HA PRO 86 HA PRO 86 12.980 11.067 5.561 632 1HB PRO 86 HB2 PRO 86 12.240 13.370 4.229 633 2HB PRO 86 HB1 PRO 86 13.748 13.194 5.114 634 1HG PRO 86 HG2 PRO 86 13.286 13.164 2.179 635 2HG PRO 86 HG1 PRO 86 14.734 13.647 3.080 636 1HD PRO 86 HD2 PRO 86 14.414 11.226 1.723 637 2HD PRO 86 HD1 PRO 86 15.630 11.531 2.983 638 H ARG 87 HN ARG 87 10.643 11.760 5.745 639 HA ARG 87 HA ARG 87 8.753 10.082 4.604 640 1HB ARG 87 HB2 ARG 87 8.378 12.999 5.345 641 2HB ARG 87 HB1 ARG 87 7.091 11.817 5.168 642 1HG ARG 87 HG2 ARG 87 8.982 10.671 6.934 643 2HG ARG 87 HG1 ARG 87 8.773 12.344 7.446 644 1HD ARG 87 HD2 ARG 87 6.588 10.273 7.078 645 2HD ARG 87 HD1 ARG 87 7.119 10.994 8.598 646 HE ARG 87 HE ARG 87 6.223 13.000 6.699 647 1HH1 ARG 87 HH21 ARG 87 4.439 10.420 7.650 648 2HH1 ARG 87 HH22 ARG 87 3.305 11.289 8.628 649 1HH2 ARG 87 HH11 ARG 87 5.118 14.246 8.561 650 2HH2 ARG 87 HH12 ARG 87 3.690 13.457 9.144 651 H GLN 88 HN GLN 88 10.210 12.989 3.301 652 HA GLN 88 HA GLN 88 8.361 13.665 1.255 653 1HB GLN 88 HB2 GLN 88 10.565 14.836 2.072 654 2HB GLN 88 HB1 GLN 88 11.305 13.915 0.760 655 1HG GLN 88 HG2 GLN 88 8.788 15.471 0.240 656 2HG GLN 88 HG1 GLN 88 10.338 16.312 0.273 657 1HE2 GLN 88 HE22 GLN 88 9.376 14.551 -3.104 658 2HE2 GLN 88 HE21 GLN 88 8.294 15.152 -1.943 659 H VAL 89 HN VAL 89 11.267 11.553 0.926 660 HA VAL 89 HA VAL 89 10.821 10.875 -1.805 661 HB VAL 89 HB VAL 89 12.277 9.381 0.391 662 1HG1 VAL 89 HG12 VAL 89 11.728 8.071 -1.728 663 2HG1 VAL 89 HG11 VAL 89 12.720 9.240 -2.599 664 3HG1 VAL 89 HG13 VAL 89 13.445 8.221 -1.357 665 1HG2 VAL 89 HG22 VAL 89 13.012 11.690 0.066 666 2HG2 VAL 89 HG21 VAL 89 14.234 10.544 -0.479 667 3HG2 VAL 89 HG23 VAL 89 13.221 11.377 -1.657 668 H GLN 90 HN GLN 90 9.879 9.328 1.226 669 HA GLN 90 HA GLN 90 8.668 6.996 0.075 670 1HB GLN 90 HB2 GLN 90 9.139 7.913 2.655 671 2HB GLN 90 HB1 GLN 90 7.382 7.973 2.535 672 1HG GLN 90 HG2 GLN 90 7.213 5.723 2.625 673 2HG GLN 90 HG1 GLN 90 8.430 5.513 1.368 674 1HE2 GLN 90 HE22 GLN 90 11.110 5.683 3.961 675 2HE2 GLN 90 HE21 GLN 90 10.722 6.580 2.572 676 H ARG 91 HN ARG 91 7.614 10.304 0.424 677 HA ARG 91 HA ARG 91 4.788 9.741 -0.047 678 1HB ARG 91 HB2 ARG 91 6.281 11.967 0.862 679 2HB ARG 91 HB1 ARG 91 5.530 12.479 -0.651 680 1HG ARG 91 HG2 ARG 91 3.854 12.962 0.902 681 2HG ARG 91 HG1 ARG 91 3.382 11.350 0.360 682 1HD ARG 91 HD2 ARG 91 4.734 10.424 2.303 683 2HD ARG 91 HD1 ARG 91 4.871 12.081 2.893 684 HE ARG 91 HE ARG 91 2.276 10.625 2.593 685 1HH1 ARG 91 HH11 ARG 91 1.006 12.865 2.952 686 2HH1 ARG 91 HH12 ARG 91 1.287 13.469 4.552 687 1HH2 ARG 91 HH21 ARG 91 4.069 11.476 5.104 688 2HH2 ARG 91 HH22 ARG 91 3.020 12.682 5.770 689 H ALA 92 HN ALA 92 7.596 10.639 -2.022 690 HA ALA 92 HA ALA 92 6.115 11.262 -4.425 691 1HB ALA 92 HB1 ALA 92 8.949 10.828 -3.675 692 2HB ALA 92 HB3 ALA 92 8.551 10.460 -5.353 693 3HB ALA 92 HB2 ALA 92 8.236 12.069 -4.704 694 H PHE 93 HN PHE 93 7.825 8.349 -3.303 695 HA PHE 93 HA PHE 93 6.967 6.722 -5.567 696 1HB PHE 93 HB2 PHE 93 9.089 6.228 -4.486 697 2HB PHE 93 HB1 PHE 93 8.289 6.026 -2.933 698 HD1 PHE 93 HD2 PHE 93 6.835 4.067 -2.496 699 HD2 PHE 93 HD1 PHE 93 8.995 4.502 -6.183 700 HE1 PHE 93 HE2 PHE 93 6.425 1.679 -3.017 701 HE2 PHE 93 HE1 PHE 93 8.583 2.114 -6.707 702 HZ PHE 93 HZ PHE 93 7.300 0.701 -5.125 703 H ALA 94 HN ALA 94 5.725 7.443 -2.389 704 HA ALA 94 HA ALA 94 4.241 5.296 -1.604 705 1HB ALA 94 HB2 ALA 94 3.894 8.219 -1.379 706 2HB ALA 94 HB1 ALA 94 2.432 7.276 -1.095 707 3HB ALA 94 HB3 ALA 94 3.875 6.980 -0.124 708 HA PRO 95 HA PRO 95 0.537 6.288 -4.470 709 1HB PRO 95 HB2 PRO 95 0.963 8.013 -6.579 710 2HB PRO 95 HB1 PRO 95 0.301 8.502 -5.010 711 1HG PRO 95 HG2 PRO 95 3.039 8.932 -6.111 712 2HG PRO 95 HG1 PRO 95 2.140 9.897 -4.928 713 1HD PRO 95 HD2 PRO 95 4.195 8.090 -4.319 714 2HD PRO 95 HD1 PRO 95 3.033 8.729 -3.150 715 H LYS 96 HN LYS 96 0.378 6.218 -7.263 716 HA LYS 96 HA LYS 96 0.810 4.780 -9.073 717 1HB LYS 96 HB2 LYS 96 3.480 5.460 -7.975 718 2HB LYS 96 HB1 LYS 96 3.424 3.989 -8.946 719 1HG LYS 96 HG2 LYS 96 3.854 5.736 -10.502 720 2HG LYS 96 HG1 LYS 96 2.140 5.366 -10.684 721 1HD LYS 96 HD2 LYS 96 1.657 7.519 -10.240 722 2HD LYS 96 HD1 LYS 96 2.313 7.307 -8.618 723 1HE LYS 96 HE2 LYS 96 3.607 9.070 -9.472 724 2HE LYS 96 HE1 LYS 96 4.628 7.663 -9.766 725 1HZ LYS 96 HZ1 LYS 96 2.695 8.544 -11.805 726 2HZ LYS 96 HZ3 LYS 96 4.198 9.319 -11.671 727 3HZ LYS 96 HZ2 LYS 96 4.129 7.653 -12.001 728 H LEU 97 HN LEU 97 0.115 3.822 -6.290 729 HA LEU 97 HA LEU 97 1.392 1.263 -5.850 730 1HB LEU 97 HB2 LEU 97 -1.105 2.574 -4.780 731 2HB LEU 97 HB1 LEU 97 -0.639 0.937 -4.310 732 HG LEU 97 HG LEU 97 1.479 3.028 -4.182 733 1HD1 LEU 97 HD12 LEU 97 -1.024 3.037 -2.550 734 2HD1 LEU 97 HD11 LEU 97 0.500 3.364 -1.724 735 3HD1 LEU 97 HD13 LEU 97 -0.015 4.387 -3.064 736 1HD2 LEU 97 HD23 LEU 97 0.706 0.469 -2.854 737 2HD2 LEU 97 HD22 LEU 97 2.289 1.014 -3.406 738 3HD2 LEU 97 HD21 LEU 97 1.624 1.629 -1.891 739 H VAL 98 HN VAL 98 -2.105 1.814 -6.642 740 HA VAL 98 HA VAL 98 -2.241 -0.885 -7.784 741 HB VAL 98 HB VAL 98 -4.608 -0.481 -7.964 742 1HG1 VAL 98 HG13 VAL 98 -3.379 -0.808 -5.710 743 2HG1 VAL 98 HG12 VAL 98 -3.814 0.878 -5.416 744 3HG1 VAL 98 HG11 VAL 98 -5.076 -0.327 -5.684 745 1HG2 VAL 98 HG23 VAL 98 -3.746 2.348 -7.858 746 2HG2 VAL 98 HG22 VAL 98 -5.167 1.641 -8.624 747 3HG2 VAL 98 HG21 VAL 98 -5.178 1.987 -6.898 748 H THR 99 HN THR 99 -0.732 1.410 -9.141 749 HA THR 99 HA THR 99 -2.204 1.523 -11.695 750 HB THR 99 HB THR 99 -0.703 3.313 -12.339 751 HG1 THR 99 HG1 THR 99 1.158 3.674 -11.332 752 1HG2 THR 99 HG23 THR 99 -2.490 3.587 -10.410 753 2HG2 THR 99 HG22 THR 99 -1.053 3.918 -9.442 754 3HG2 THR 99 HG21 THR 99 -1.415 4.914 -10.852 755 H GLU 100 HN GLU 100 -0.608 1.304 -13.723 756 HA GLU 100 HA GLU 100 0.401 -1.347 -13.732 757 1HB GLU 100 HB2 GLU 100 0.054 0.741 -15.580 758 2HB GLU 100 HB1 GLU 100 1.773 0.363 -15.653 759 1HG GLU 100 HG2 GLU 100 1.034 -2.107 -15.784 760 2HG GLU 100 HG1 GLU 100 -0.571 -1.472 -16.149 761 H VAL 101 HN VAL 101 1.902 1.286 -12.041 762 HA VAL 101 HA VAL 101 4.647 0.382 -12.623 763 HB VAL 101 HB VAL 101 3.719 2.493 -10.657 764 1HG1 VAL 101 HG12 VAL 101 6.340 1.572 -11.758 765 2HG1 VAL 101 HG11 VAL 101 6.133 3.297 -11.456 766 3HG1 VAL 101 HG13 VAL 101 5.943 2.141 -10.137 767 1HG2 VAL 101 HG23 VAL 101 4.114 2.538 -13.628 768 2HG2 VAL 101 HG22 VAL 101 2.934 3.404 -12.643 769 3HG2 VAL 101 HG21 VAL 101 4.609 3.952 -12.697 770 H GLU 102 HN GLU 102 2.242 -0.770 -10.588 771 HA GLU 102 HA GLU 102 4.302 -1.907 -8.771 772 1HB GLU 102 HB2 GLU 102 2.208 -0.017 -8.012 773 2HB GLU 102 HB1 GLU 102 2.145 -1.502 -7.060 774 1HG GLU 102 HG2 GLU 102 4.767 -0.092 -7.527 775 2HG GLU 102 HG1 GLU 102 3.683 0.435 -6.238 776 H CYS 103 HN CYS 103 0.783 -2.223 -8.273 777 HA CYS 103 HA CYS 103 0.825 -4.955 -9.491 778 1HB CYS 103 HB2 CYS 103 -0.063 -4.444 -6.629 779 2HB CYS 103 HB1 CYS 103 -0.025 -5.994 -7.462 780 H ASN 104 HN ASN 104 -0.546 -2.583 -10.433 781 HA ASN 104 HA ASN 104 -3.026 -1.879 -9.660 782 1HB ASN 104 HB2 ASN 104 -3.710 -1.820 -12.114 783 2HB ASN 104 HB1 ASN 104 -2.242 -0.958 -11.686 784 1HD2 ASN 104 HD22 ASN 104 -1.974 -3.615 -14.580 785 2HD2 ASN 104 HD21 ASN 104 -3.380 -2.784 -14.117 786 H LEU 105 HN LEU 105 -2.787 -4.785 -11.807 787 HA LEU 105 HA LEU 105 -4.379 -6.512 -12.113 788 1HB LEU 105 HB2 LEU 105 -4.204 -6.136 -9.122 789 2HB LEU 105 HB1 LEU 105 -5.191 -7.414 -9.830 790 HG LEU 105 HG LEU 105 -2.474 -7.252 -10.962 791 1HD1 LEU 105 HD12 LEU 105 -2.931 -7.742 -8.019 792 2HD1 LEU 105 HD11 LEU 105 -1.576 -8.483 -8.870 793 3HD1 LEU 105 HD13 LEU 105 -1.710 -6.726 -8.787 794 1HD2 LEU 105 HD23 LEU 105 -4.449 -9.078 -11.001 795 2HD2 LEU 105 HD22 LEU 105 -2.752 -9.535 -11.141 796 3HD2 LEU 105 HD21 LEU 105 -3.573 -9.661 -9.585 797 H ALA 106 HN ALA 106 -5.522 -3.682 -12.145 798 HA ALA 106 HA ALA 106 -7.640 -2.732 -12.432 799 1HB ALA 106 HB2 ALA 106 -8.107 -5.551 -12.660 800 2HB ALA 106 HB1 ALA 106 -9.413 -4.860 -11.695 801 3HB ALA 106 HB3 ALA 106 -9.078 -4.229 -13.308 802 H THR 107 HN THR 107 -9.241 -1.767 -11.072 803 HA THR 107 HA THR 107 -8.982 -2.438 -8.160 804 HB THR 107 HB THR 107 -8.853 -0.146 -7.579 805 HG1 THR 107 HG1 THR 107 -9.784 0.429 -10.205 806 1HG2 THR 107 HG23 THR 107 -7.513 -0.313 -10.284 807 2HG2 THR 107 HG22 THR 107 -7.170 0.886 -9.037 808 3HG2 THR 107 HG21 THR 107 -6.809 -0.815 -8.747 809 H ILE 108 HN ILE 108 -10.997 -0.684 -7.243 810 HA ILE 108 HA ILE 108 -13.399 -2.177 -7.787 811 HB ILE 108 HB ILE 108 -13.012 -0.993 -5.644 812 1HG1 ILE 108 HG12 ILE 108 -15.241 0.175 -5.514 813 2HG1 ILE 108 HG11 ILE 108 -15.388 -0.024 -7.261 814 1HG2 ILE 108 HG23 ILE 108 -11.972 1.028 -7.024 815 2HG2 ILE 108 HG22 ILE 108 -13.627 1.631 -6.947 816 3HG2 ILE 108 HG21 ILE 108 -12.739 1.302 -5.459 817 1HD1 ILE 108 HD12 ILE 108 -14.703 -2.455 -5.684 818 2HD1 ILE 108 HD11 ILE 108 -16.349 -1.841 -5.526 819 3HD1 ILE 108 HD13 ILE 108 -15.724 -2.293 -7.112 820 H HIS 109 HN HIS 109 -11.976 0.755 -9.060 821 HA HIS 109 HA HIS 109 -14.282 1.698 -10.541 822 1HB HIS 109 HB2 HIS 109 -11.336 2.319 -10.726 823 2HB HIS 109 HB1 HIS 109 -12.605 3.210 -11.565 824 HD1 HIS 109 HD1 HIS 109 -14.105 4.767 -10.167 825 HD2 HIS 109 HD2 HIS 109 -11.277 2.713 -7.896 826 HE1 HIS 109 HE1 HIS 109 -14.108 5.839 -7.876 827 H GLY 110 HN GLY 110 -12.604 -1.098 -11.102 828 1HA GLY 110 HA2 GLY 110 -12.306 -2.465 -12.968 829 2HA GLY 110 HA1 GLY 110 -13.577 -1.502 -13.723 830 H GLY 111 HN GLY 111 -10.538 -0.142 -12.578 831 1HA GLY 111 HA2 GLY 111 -9.242 -0.157 -15.187 832 2HA GLY 111 HA1 GLY 111 -9.927 1.416 -14.781 833 HA PRO 112 HA PRO 112 -5.709 0.835 -12.717 834 1HB PRO 112 HB2 PRO 112 -4.252 2.500 -14.370 835 2HB PRO 112 HB1 PRO 112 -4.378 0.748 -14.601 836 1HG PRO 112 HG2 PRO 112 -5.681 2.959 -16.119 837 2HG PRO 112 HG1 PRO 112 -5.269 1.322 -16.657 838 1HD PRO 112 HD2 PRO 112 -7.844 2.215 -15.928 839 2HD PRO 112 HD1 PRO 112 -7.343 0.521 -16.114 840 H PHE 113 HN PHE 113 -7.099 2.116 -11.185 841 HA PHE 113 HA PHE 113 -5.946 4.552 -10.422 842 1HB PHE 113 HB2 PHE 113 -7.827 6.164 -10.990 843 2HB PHE 113 HB1 PHE 113 -6.785 5.700 -12.320 844 HD1 PHE 113 HD1 PHE 113 -9.040 2.988 -11.457 845 HD2 PHE 113 HD2 PHE 113 -8.796 6.710 -13.597 846 HE1 PHE 113 HE1 PHE 113 -11.024 2.357 -12.785 847 HE2 PHE 113 HE2 PHE 113 -10.787 6.069 -14.925 848 HZ PHE 113 HZ PHE 113 -11.909 3.893 -14.514 849 H CYS 114 HN CYS 114 -7.321 5.794 -8.805 850 HA CYS 114 HA CYS 114 -9.721 4.753 -7.708 851 1HB CYS 114 HB2 CYS 114 -9.052 3.433 -5.861 852 2HB CYS 114 HB1 CYS 114 -8.062 2.843 -7.186 853 H LEU 115 HN LEU 115 -10.522 6.329 -6.201 854 HA LEU 115 HA LEU 115 -10.571 8.393 -5.097 855 1HB LEU 115 HB2 LEU 115 -8.274 6.853 -4.065 856 2HB LEU 115 HB1 LEU 115 -8.185 8.583 -3.750 857 HG LEU 115 HG LEU 115 -9.340 7.350 -1.923 858 1HD1 LEU 115 HD13 LEU 115 -10.142 9.716 -3.183 859 2HD1 LEU 115 HD12 LEU 115 -11.644 8.828 -2.928 860 3HD1 LEU 115 HD11 LEU 115 -10.588 9.187 -1.562 861 1HD2 LEU 115 HD23 LEU 115 -10.487 5.886 -3.973 862 2HD2 LEU 115 HD22 LEU 115 -11.027 5.871 -2.294 863 3HD2 LEU 115 HD21 LEU 115 -11.816 6.929 -3.463 864 H SER 116 HN SER 116 -9.290 8.249 -7.836 865 HA SER 116 HA SER 116 -7.499 10.637 -7.671 866 1HB SER 116 HB2 SER 116 -7.805 8.572 -9.870 867 2HB SER 116 HB1 SER 116 -6.739 9.972 -9.941 868 HG SER 116 HG SER 116 -5.754 9.131 -8.002 869 H LEU 117 HN LEU 117 -9.747 9.232 -10.075 870 HA LEU 117 HA LEU 117 -10.426 11.591 -11.423 871 1HB LEU 117 HB2 LEU 117 -12.786 10.378 -11.689 872 2HB LEU 117 HB1 LEU 117 -11.354 9.793 -12.526 873 HG LEU 117 HG LEU 117 -11.727 8.696 -9.799 874 1HD1 LEU 117 HD11 LEU 117 -13.729 8.258 -12.015 875 2HD1 LEU 117 HD13 LEU 117 -13.409 7.004 -10.816 876 3HD1 LEU 117 HD12 LEU 117 -14.031 8.573 -10.305 877 1HD2 LEU 117 HD23 LEU 117 -10.111 8.098 -11.844 878 2HD2 LEU 117 HD22 LEU 117 -10.677 6.857 -10.725 879 3HD2 LEU 117 HD21 LEU 117 -11.467 7.061 -12.289 880 H LEU 118 HN LEU 118 -12.925 10.187 -9.280 881 HA LEU 118 HA LEU 118 -14.303 12.583 -8.832 882 1HB LEU 118 HB2 LEU 118 -14.143 10.002 -7.310 883 2HB LEU 118 HB1 LEU 118 -15.014 11.370 -6.632 884 HG LEU 118 HG LEU 118 -15.484 10.490 -9.475 885 1HD1 LEU 118 HD12 LEU 118 -16.444 9.228 -6.931 886 2HD1 LEU 118 HD11 LEU 118 -17.548 9.314 -8.303 887 3HD1 LEU 118 HD13 LEU 118 -16.010 8.465 -8.461 888 1HD2 LEU 118 HD22 LEU 118 -16.333 12.693 -8.357 889 2HD2 LEU 118 HD21 LEU 118 -17.478 11.725 -9.286 890 3HD2 LEU 118 HD23 LEU 118 -17.474 11.636 -7.524 891 H GLY 119 HN GLY 119 -11.226 11.766 -7.415 892 1HA GLY 119 HA2 GLY 119 -11.613 13.732 -5.223 893 2HA GLY 119 HA1 GLY 119 -10.290 12.571 -5.327 894 H ALA 120 HN ALA 120 -11.574 15.559 -6.713 895 HA ALA 120 HA ALA 120 -8.835 16.536 -7.194 896 1HB ALA 120 HB2 ALA 120 -9.434 15.310 -9.284 897 2HB ALA 120 HB1 ALA 120 -10.836 16.365 -9.469 898 3HB ALA 120 HB3 ALA 120 -9.208 17.039 -9.553 899 H GLY 121 HN GLY 121 -9.897 17.764 -5.354 900 1HA GLY 121 HA2 GLY 121 -12.034 19.630 -5.847 901 2HA GLY 121 HA1 GLY 121 -10.912 19.691 -4.490 902 H GLU 122 HN GLU 122 -8.682 19.644 -6.710 903 HA GLU 122 HA GLU 122 -8.856 22.568 -7.350 904 1HB GLU 122 HB2 GLU 122 -6.346 22.547 -7.226 905 2HB GLU 122 HB1 GLU 122 -7.134 22.217 -5.683 906 1HG GLU 122 HG2 GLU 122 -6.230 20.149 -5.560 907 2HG GLU 122 HG1 GLU 122 -6.707 19.765 -7.213 No H/Q in entry = 907 Start of MODEL 4 Raw file had 930 H/Q atoms Start of MODEL 4 1 1H SER 1 HT3 SER 1 -10.909 4.309 7.699 2 2H SER 1 HT2 SER 1 -10.051 4.908 6.360 3 3H SER 1 HT1 SER 1 -10.438 5.939 7.655 4 HA SER 1 HA SER 1 -11.930 6.412 5.871 5 1HB SER 1 HB2 SER 1 -11.636 4.185 4.762 6 2HB SER 1 HB1 SER 1 -12.653 3.470 6.008 7 HG SER 1 HG SER 1 -13.397 5.596 4.273 8 H VAL 2 HN VAL 2 -14.295 6.661 6.196 9 HA VAL 2 HA VAL 2 -14.961 6.575 9.080 10 HB VAL 2 HB VAL 2 -15.276 8.655 7.754 11 1HG1 VAL 2 HG12 VAL 2 -16.228 7.010 5.779 12 2HG1 VAL 2 HG11 VAL 2 -17.727 7.667 6.437 13 3HG1 VAL 2 HG13 VAL 2 -16.478 8.754 5.828 14 1HG2 VAL 2 HG21 VAL 2 -16.848 7.699 9.714 15 2HG2 VAL 2 HG23 VAL 2 -17.155 9.253 8.937 16 3HG2 VAL 2 HG22 VAL 2 -18.055 7.821 8.435 17 H GLY 3 HN GLY 3 -14.977 4.012 7.506 18 1HA GLY 3 HA2 GLY 3 -16.763 2.363 8.428 19 2HA GLY 3 HA1 GLY 3 -17.884 3.350 7.488 20 H THR 4 HN THR 4 -17.681 3.365 5.186 21 HA THR 4 HA THR 4 -17.634 2.160 3.173 22 HB THR 4 HB THR 4 -15.540 3.446 3.132 23 HG1 THR 4 HG1 THR 4 -14.423 1.986 1.695 24 1HG2 THR 4 HG23 THR 4 -14.423 0.979 4.480 25 2HG2 THR 4 HG22 THR 4 -13.413 2.187 3.689 26 3HG2 THR 4 HG21 THR 4 -14.397 2.637 5.081 27 H SER 5 HN SER 5 -18.131 0.444 5.516 28 HA SER 5 HA SER 5 -18.339 -1.838 6.002 29 1HB SER 5 HB2 SER 5 -17.478 -2.287 3.136 30 2HB SER 5 HB1 SER 5 -18.505 -3.319 4.127 31 HG SER 5 HG SER 5 -19.063 -0.731 3.106 32 H CYS 6 HN CYS 6 -16.829 -4.042 4.970 33 HA CYS 6 HA CYS 6 -14.799 -5.170 5.250 34 1HB CYS 6 HB2 CYS 6 -13.487 -2.436 5.322 35 2HB CYS 6 HB1 CYS 6 -12.720 -3.980 4.960 36 H ILE 7 HN ILE 7 -14.057 -6.069 7.100 37 HA ILE 7 HA ILE 7 -14.166 -4.436 9.602 38 HB ILE 7 HB ILE 7 -13.902 -7.034 10.487 39 1HG1 ILE 7 HG12 ILE 7 -14.272 -7.824 8.089 40 2HG1 ILE 7 HG11 ILE 7 -15.368 -8.499 9.288 41 1HG2 ILE 7 HG22 ILE 7 -16.078 -5.060 10.250 42 2HG2 ILE 7 HG21 ILE 7 -16.602 -6.715 10.558 43 3HG2 ILE 7 HG23 ILE 7 -15.479 -5.926 11.664 44 1HD1 ILE 7 HD11 ILE 7 -16.350 -6.000 8.080 45 2HD1 ILE 7 HD13 ILE 7 -16.149 -7.313 6.921 46 3HD1 ILE 7 HD12 ILE 7 -17.187 -7.532 8.330 47 HA PRO 8 HA PRO 8 -9.825 -4.934 10.066 48 1HB PRO 8 HB2 PRO 8 -9.558 -5.060 12.802 49 2HB PRO 8 HB1 PRO 8 -9.931 -3.569 11.921 50 1HG PRO 8 HG2 PRO 8 -11.735 -5.270 13.575 51 2HG PRO 8 HG1 PRO 8 -11.845 -3.540 13.212 52 1HD PRO 8 HD2 PRO 8 -13.361 -5.596 11.991 53 2HD PRO 8 HD1 PRO 8 -13.230 -3.917 11.427 54 H GLY 9 HN GLY 9 -8.146 -6.564 10.537 55 1HA GLY 9 HA2 GLY 9 -7.332 -8.740 10.778 56 2HA GLY 9 HA1 GLY 9 -8.513 -8.921 12.072 57 H MET 10 HN MET 10 -9.631 -8.092 8.878 58 HA MET 10 HA MET 10 -10.463 -10.908 8.338 59 1HB MET 10 HB2 MET 10 -12.249 -8.459 8.359 60 2HB MET 10 HB1 MET 10 -12.720 -10.015 7.676 61 1HG MET 10 HG2 MET 10 -11.710 -9.777 10.511 62 2HG MET 10 HG1 MET 10 -13.415 -9.557 10.114 63 1HE MET 10 HE1 MET 10 -14.934 -11.114 10.322 64 2HE MET 10 HE3 MET 10 -14.795 -11.542 8.612 65 3HE MET 10 HE2 MET 10 -14.898 -12.806 9.833 66 H ALA 11 HN ALA 11 -8.957 -11.005 6.459 67 HA ALA 11 HA ALA 11 -8.603 -10.854 4.135 68 1HB ALA 11 HB2 ALA 11 -11.056 -9.624 4.219 69 2HB ALA 11 HB1 ALA 11 -10.022 -8.306 3.667 70 3HB ALA 11 HB3 ALA 11 -10.086 -9.816 2.759 71 H ILE 12 HN ILE 12 -8.871 -7.624 5.662 72 HA ILE 12 HA ILE 12 -6.151 -6.977 4.659 73 HB ILE 12 HB ILE 12 -8.308 -5.168 5.798 74 1HG1 ILE 12 HG12 ILE 12 -7.376 -4.956 2.981 75 2HG1 ILE 12 HG11 ILE 12 -8.371 -6.360 3.367 76 1HG2 ILE 12 HG22 ILE 12 -5.466 -4.766 5.036 77 2HG2 ILE 12 HG21 ILE 12 -6.596 -3.542 4.459 78 3HG2 ILE 12 HG23 ILE 12 -6.460 -3.873 6.186 79 1HD1 ILE 12 HD13 ILE 12 -9.105 -3.473 3.943 80 2HD1 ILE 12 HD12 ILE 12 -9.770 -4.459 2.641 81 3HD1 ILE 12 HD11 ILE 12 -10.098 -4.880 4.322 82 HA PRO 13 HA PRO 13 -5.523 -7.870 9.095 83 1HB PRO 13 HB2 PRO 13 -2.902 -8.665 8.910 84 2HB PRO 13 HB1 PRO 13 -4.284 -9.727 8.609 85 1HG PRO 13 HG2 PRO 13 -2.373 -8.574 6.668 86 2HG PRO 13 HG1 PRO 13 -3.454 -9.963 6.479 87 1HD PRO 13 HD2 PRO 13 -3.820 -7.299 5.481 88 2HD PRO 13 HD1 PRO 13 -4.948 -8.669 5.324 89 H HIS 14 HN HIS 14 -3.793 -7.167 10.699 90 HA HIS 14 HA HIS 14 -3.383 -4.330 10.486 91 1HB HIS 14 HB2 HIS 14 -2.269 -6.273 12.547 92 2HB HIS 14 HB1 HIS 14 -2.555 -4.559 12.743 93 HD1 HIS 14 HD1 HIS 14 -4.965 -3.776 13.273 94 HD2 HIS 14 HD2 HIS 14 -4.670 -7.868 12.533 95 HE1 HIS 14 HE1 HIS 14 -7.205 -4.791 13.934 96 H ASN 15 HN ASN 15 -1.305 -3.242 10.255 97 HA ASN 15 HA ASN 15 0.864 -2.943 9.469 98 1HB ASN 15 HB2 ASN 15 0.945 -5.097 11.357 99 2HB ASN 15 HB1 ASN 15 2.041 -5.500 10.038 100 1HD2 ASN 15 HD22 ASN 15 4.472 -3.432 11.538 101 2HD2 ASN 15 HD21 ASN 15 4.082 -4.960 10.908 102 HA PRO 16 HA PRO 16 -0.118 -5.723 5.788 103 1HB PRO 16 HB2 PRO 16 -1.444 -3.906 4.228 104 2HB PRO 16 HB1 PRO 16 -2.267 -4.969 5.381 105 1HG PRO 16 HG2 PRO 16 -1.684 -2.048 5.605 106 2HG PRO 16 HG1 PRO 16 -3.008 -2.987 6.315 107 1HD PRO 16 HD2 PRO 16 -0.688 -2.127 7.692 108 2HD PRO 16 HD1 PRO 16 -1.845 -3.361 8.230 109 H LEU 17 HN LEU 17 0.644 -5.377 3.547 110 HA LEU 17 HA LEU 17 2.326 -4.772 2.046 111 1HB LEU 17 HB2 LEU 17 1.644 -1.983 3.011 112 2HB LEU 17 HB1 LEU 17 2.306 -2.431 1.440 113 HG LEU 17 HG LEU 17 -0.376 -3.381 2.484 114 1HD1 LEU 17 HD11 LEU 17 0.456 -0.971 0.923 115 2HD1 LEU 17 HD13 LEU 17 -1.045 -1.777 0.463 116 3HD1 LEU 17 HD12 LEU 17 -0.846 -1.152 2.100 117 1HD2 LEU 17 HD22 LEU 17 0.749 -4.844 0.812 118 2HD2 LEU 17 HD21 LEU 17 -0.713 -4.101 0.162 119 3HD2 LEU 17 HD23 LEU 17 0.871 -3.467 -0.284 120 H ASP 18 HN ASP 18 3.481 -5.580 4.462 121 HA ASP 18 HA ASP 18 5.403 -3.665 5.486 122 1HB ASP 18 HB2 ASP 18 6.573 -5.704 6.396 123 2HB ASP 18 HB1 ASP 18 4.861 -5.627 6.822 124 H SER 19 HN SER 19 5.470 -6.160 3.017 125 HA SER 19 HA SER 19 8.227 -5.939 2.261 126 1HB SER 19 HB2 SER 19 6.269 -7.651 1.578 127 2HB SER 19 HB1 SER 19 6.182 -6.577 0.184 128 HG SER 19 HG SER 19 7.999 -7.380 -0.494 129 H CYS 20 HN CYS 20 5.384 -4.037 1.564 130 HA CYS 20 HA CYS 20 6.462 -2.644 -0.733 131 1HB CYS 20 HB2 CYS 20 4.181 -1.882 1.086 132 2HB CYS 20 HB1 CYS 20 4.498 -1.231 -0.523 133 H ARG 21 HN ARG 21 6.257 -2.025 2.735 134 HA ARG 21 HA ARG 21 7.267 0.642 2.691 135 1HB ARG 21 HB2 ARG 21 6.563 0.391 4.820 136 2HB ARG 21 HB1 ARG 21 6.547 -1.355 4.673 137 1HG ARG 21 HG2 ARG 21 8.022 -0.812 6.491 138 2HG ARG 21 HG1 ARG 21 9.055 -1.300 5.152 139 1HD ARG 21 HD2 ARG 21 9.239 1.172 4.554 140 2HD ARG 21 HD1 ARG 21 8.458 1.512 6.097 141 HE ARG 21 HE ARG 21 11.185 0.431 5.741 142 1HH1 ARG 21 HH21 ARG 21 10.521 -1.140 7.946 143 2HH1 ARG 21 HH22 ARG 21 10.573 -0.091 9.323 144 1HH2 ARG 21 HH11 ARG 21 10.389 2.818 7.445 145 2HH2 ARG 21 HH12 ARG 21 10.498 2.151 9.039 146 H TRP 22 HN TRP 22 8.942 -2.500 3.194 147 HA TRP 22 HA TRP 22 11.547 -1.288 3.246 148 1HB TRP 22 HB2 TRP 22 10.704 -4.157 2.986 149 2HB TRP 22 HB1 TRP 22 12.380 -3.669 2.797 150 HD1 TRP 22 HD1 TRP 22 10.242 -4.811 5.393 151 HE1 TRP 22 HE1 TRP 22 11.032 -4.005 7.728 152 HE3 TRP 22 HE3 TRP 22 13.420 -1.297 3.913 153 HZ2 TRP 22 HZ2 TRP 22 12.864 -2.016 8.784 154 HZ3 TRP 22 HZ3 TRP 22 14.724 0.098 5.537 155 HH2 TRP 22 HH2 TRP 22 14.443 -0.276 7.977 156 H TYR 23 HN TYR 23 9.453 -2.376 0.682 157 HA TYR 23 HA TYR 23 11.473 -2.571 -1.370 158 1HB TYR 23 HB2 TYR 23 9.194 -3.551 -1.609 159 2HB TYR 23 HB1 TYR 23 8.523 -1.918 -1.733 160 HD1 TYR 23 HD1 TYR 23 9.759 -0.399 -3.605 161 HD2 TYR 23 HD2 TYR 23 9.727 -4.669 -3.523 162 HE1 TYR 23 HE1 TYR 23 10.342 -0.438 -6.006 163 HE2 TYR 23 HE2 TYR 23 10.340 -4.725 -5.916 164 HH TYR 23 HH TYR 23 11.448 -3.194 -7.578 165 H VAL 24 HN VAL 24 9.654 0.087 0.089 166 HA VAL 24 HA VAL 24 10.450 2.015 -1.955 167 HB VAL 24 HB VAL 24 9.570 2.568 0.894 168 1HG1 VAL 24 HG11 VAL 24 10.822 4.409 -0.208 169 2HG1 VAL 24 HG13 VAL 24 9.682 4.363 -1.552 170 3HG1 VAL 24 HG12 VAL 24 9.132 4.839 0.056 171 1HG2 VAL 24 HG22 VAL 24 8.095 1.969 -1.624 172 2HG2 VAL 24 HG21 VAL 24 7.616 1.680 0.050 173 3HG2 VAL 24 HG23 VAL 24 7.470 3.295 -0.643 174 H SER 25 HN SER 25 11.621 1.131 1.322 175 HA SER 25 HA SER 25 13.659 3.088 1.482 176 1HB SER 25 HB2 SER 25 14.401 1.991 3.350 177 2HB SER 25 HB1 SER 25 12.839 1.202 3.190 178 HG SER 25 HG SER 25 13.882 -0.512 2.143 179 H THR 26 HN THR 26 13.762 -0.113 -0.056 180 HA THR 26 HA THR 26 16.568 0.040 -0.797 181 HB THR 26 HB THR 26 14.291 -1.832 -1.481 182 HG1 THR 26 HG1 THR 26 15.619 -3.233 -0.243 183 1HG2 THR 26 HG23 THR 26 16.988 -1.657 -2.743 184 2HG2 THR 26 HG22 THR 26 16.428 -3.264 -2.283 185 3HG2 THR 26 HG21 THR 26 15.476 -2.287 -3.400 186 H ARG 27 HN ARG 27 13.589 0.176 -2.759 187 HA ARG 27 HA ARG 27 14.857 0.706 -5.240 188 1HB ARG 27 HB2 ARG 27 12.479 -0.018 -4.955 189 2HB ARG 27 HB1 ARG 27 12.095 1.604 -4.382 190 1HG ARG 27 HG2 ARG 27 11.574 1.456 -6.760 191 2HG ARG 27 HG1 ARG 27 12.956 2.528 -6.535 192 1HD ARG 27 HD2 ARG 27 14.457 1.010 -7.443 193 2HD ARG 27 HD1 ARG 27 13.478 -0.386 -6.992 194 HE ARG 27 HE ARG 27 11.872 0.620 -8.851 195 1HH1 ARG 27 HH11 ARG 27 14.809 -0.857 -9.061 196 2HH1 ARG 27 HH12 ARG 27 15.220 -0.281 -10.641 197 1HH2 ARG 27 HH21 ARG 27 12.607 1.996 -10.781 198 2HH2 ARG 27 HH22 ARG 27 13.974 1.336 -11.616 199 H THR 28 HN THR 28 14.126 2.814 -2.563 200 HA THR 28 HA THR 28 14.563 5.231 -4.200 201 HB THR 28 HB THR 28 13.744 6.482 -2.283 202 HG1 THR 28 HG1 THR 28 13.748 5.700 -0.343 203 1HG2 THR 28 HG21 THR 28 12.215 3.970 -2.935 204 2HG2 THR 28 HG23 THR 28 11.553 5.237 -1.904 205 3HG2 THR 28 HG22 THR 28 11.975 5.594 -3.576 206 H CYS 29 HN CYS 29 15.879 4.181 -0.981 207 HA CYS 29 HA CYS 29 18.324 5.756 -1.594 208 1HB CYS 29 HB2 CYS 29 17.746 4.462 1.057 209 2HB CYS 29 HB1 CYS 29 18.722 5.888 0.715 210 H GLY 30 HN GLY 30 17.502 2.778 -2.303 211 1HA GLY 30 HA2 GLY 30 18.670 0.748 -2.618 212 2HA GLY 30 HA1 GLY 30 20.142 1.701 -2.437 213 H VAL 31 HN VAL 31 17.870 1.842 0.188 214 HA VAL 31 HA VAL 31 19.700 0.185 1.867 215 HB VAL 31 HB VAL 31 17.662 2.280 2.700 216 1HG1 VAL 31 HG13 VAL 31 19.617 0.544 4.209 217 2HG1 VAL 31 HG12 VAL 31 19.078 2.090 4.866 218 3HG1 VAL 31 HG11 VAL 31 17.906 0.814 4.538 219 1HG2 VAL 31 HG23 VAL 31 20.623 2.349 2.175 220 2HG2 VAL 31 HG22 VAL 31 19.386 3.515 1.706 221 3HG2 VAL 31 HG21 VAL 31 19.921 3.424 3.384 222 H GLY 32 HN GLY 32 18.656 -1.209 3.498 223 1HA GLY 32 HA2 GLY 32 16.268 -2.001 4.199 224 2HA GLY 32 HA1 GLY 32 16.119 -2.318 2.465 225 HA PRO 33 HA PRO 33 18.232 -5.980 4.667 226 1HB PRO 33 HB2 PRO 33 16.393 -7.937 3.985 227 2HB PRO 33 HB1 PRO 33 16.392 -7.063 5.525 228 1HG PRO 33 HG2 PRO 33 14.649 -6.663 3.122 229 2HG PRO 33 HG1 PRO 33 14.258 -6.464 4.839 230 1HD PRO 33 HD2 PRO 33 14.755 -4.363 3.147 231 2HD PRO 33 HD1 PRO 33 15.019 -4.296 4.903 232 H ARG 34 HN ARG 34 18.959 -8.064 3.390 233 HA ARG 34 HA ARG 34 19.528 -7.189 0.626 234 1HB ARG 34 HB2 ARG 34 20.792 -9.012 2.598 235 2HB ARG 34 HB1 ARG 34 20.932 -9.502 0.910 236 1HG ARG 34 HG2 ARG 34 21.699 -7.112 0.423 237 2HG ARG 34 HG1 ARG 34 21.847 -6.908 2.168 238 1HD ARG 34 HD2 ARG 34 23.291 -9.038 2.125 239 2HD ARG 34 HD1 ARG 34 23.365 -8.809 0.378 240 HE ARG 34 HE ARG 34 24.113 -6.343 1.358 241 1HH1 ARG 34 HH21 ARG 34 25.227 -7.258 3.800 242 2HH1 ARG 34 HH22 ARG 34 26.790 -7.878 3.384 243 1HH2 ARG 34 HH11 ARG 34 26.072 -8.153 0.003 244 2HH2 ARG 34 HH12 ARG 34 27.268 -8.385 1.233 245 H LEU 35 HN LEU 35 17.255 -7.581 0.047 246 HA LEU 35 HA LEU 35 16.778 -10.428 -0.738 247 1HB LEU 35 HB2 LEU 35 15.192 -8.912 0.982 248 2HB LEU 35 HB1 LEU 35 14.376 -8.738 -0.570 249 HG LEU 35 HG LEU 35 13.515 -10.694 0.657 250 1HD1 LEU 35 HD12 LEU 35 14.096 -10.616 -1.955 251 2HD1 LEU 35 HD11 LEU 35 15.148 -11.956 -1.497 252 3HD1 LEU 35 HD13 LEU 35 13.412 -12.054 -1.196 253 1HD2 LEU 35 HD22 LEU 35 15.892 -11.033 1.744 254 2HD2 LEU 35 HD21 LEU 35 14.858 -12.431 1.450 255 3HD2 LEU 35 HD23 LEU 35 16.174 -12.058 0.337 256 H ALA 36 HN ALA 36 16.364 -10.705 -2.917 257 HA ALA 36 HA ALA 36 17.094 -8.792 -4.816 258 1HB ALA 36 HB2 ALA 36 15.619 -11.354 -4.870 259 2HB ALA 36 HB1 ALA 36 15.358 -10.308 -6.266 260 3HB ALA 36 HB3 ALA 36 16.991 -10.822 -5.841 261 H THR 37 HN THR 37 15.849 -7.377 -6.241 262 HA THR 37 HA THR 37 13.644 -6.024 -4.953 263 HB THR 37 HB THR 37 14.462 -5.649 -7.831 264 HG1 THR 37 HG1 THR 37 16.318 -4.882 -7.222 265 1HG2 THR 37 HG21 THR 37 12.638 -4.357 -6.211 266 2HG2 THR 37 HG23 THR 37 14.074 -3.342 -6.063 267 3HG2 THR 37 HG22 THR 37 13.386 -3.670 -7.652 268 H GLN 38 HN GLN 38 13.852 -8.471 -7.481 269 HA GLN 38 HA GLN 38 11.150 -8.094 -8.481 270 1HB GLN 38 HB2 GLN 38 13.249 -9.394 -9.498 271 2HB GLN 38 HB1 GLN 38 12.497 -10.758 -8.671 272 1HG GLN 38 HG2 GLN 38 10.796 -8.952 -10.361 273 2HG GLN 38 HG1 GLN 38 11.792 -10.180 -11.144 274 1HE2 GLN 38 HE22 GLN 38 9.944 -12.923 -9.682 275 2HE2 GLN 38 HE21 GLN 38 11.509 -12.485 -10.173 276 H GLU 39 HN GLU 39 12.611 -9.971 -5.918 277 HA GLU 39 HA GLU 39 10.293 -11.630 -5.367 278 1HB GLU 39 HB2 GLU 39 12.691 -10.971 -3.626 279 2HB GLU 39 HB1 GLU 39 11.534 -12.270 -3.334 280 1HG GLU 39 HG2 GLU 39 13.039 -12.086 -5.941 281 2HG GLU 39 HG1 GLU 39 13.745 -12.883 -4.535 282 H MET 40 HN MET 40 11.529 -8.521 -4.241 283 HA MET 40 HA MET 40 9.765 -8.236 -1.979 284 1HB MET 40 HB2 MET 40 11.957 -7.001 -2.612 285 2HB MET 40 HB1 MET 40 10.938 -5.987 -3.598 286 1HG MET 40 HG2 MET 40 10.995 -4.833 -1.540 287 2HG MET 40 HG1 MET 40 9.481 -5.732 -1.455 288 1HE MET 40 HE3 MET 40 11.062 -4.475 0.974 289 2HE MET 40 HE2 MET 40 12.243 -5.501 1.785 290 3HE MET 40 HE1 MET 40 12.629 -4.795 0.217 291 H LYS 41 HN LYS 41 9.803 -6.858 -5.245 292 HA LYS 41 HA LYS 41 7.258 -5.576 -5.202 293 1HB LYS 41 HB2 LYS 41 8.916 -5.259 -7.040 294 2HB LYS 41 HB1 LYS 41 8.591 -6.896 -7.598 295 1HG LYS 41 HG2 LYS 41 6.220 -6.293 -7.960 296 2HG LYS 41 HG1 LYS 41 6.562 -4.648 -7.422 297 1HD LYS 41 HD2 LYS 41 7.946 -4.202 -9.294 298 2HD LYS 41 HD1 LYS 41 8.089 -5.911 -9.699 299 1HE LYS 41 HE2 LYS 41 6.443 -5.459 -11.205 300 2HE LYS 41 HE1 LYS 41 5.374 -5.570 -9.806 301 1HZ LYS 41 HZ3 LYS 41 6.679 -3.058 -10.692 302 2HZ LYS 41 HZ2 LYS 41 5.104 -3.512 -11.136 303 3HZ LYS 41 HZ1 LYS 41 5.481 -3.226 -9.504 304 H ALA 42 HN ALA 42 8.149 -8.928 -5.918 305 HA ALA 42 HA ALA 42 5.584 -9.828 -6.832 306 1HB ALA 42 HB2 ALA 42 7.841 -11.033 -7.027 307 2HB ALA 42 HB1 ALA 42 7.597 -11.532 -5.354 308 3HB ALA 42 HB3 ALA 42 6.454 -12.034 -6.599 309 H ARG 43 HN ARG 43 7.068 -9.626 -3.624 310 HA ARG 43 HA ARG 43 5.013 -11.021 -2.196 311 1HB ARG 43 HB2 ARG 43 7.370 -9.410 -1.543 312 2HB ARG 43 HB1 ARG 43 6.053 -9.168 -0.395 313 1HG ARG 43 HG2 ARG 43 7.437 -11.034 0.357 314 2HG ARG 43 HG1 ARG 43 5.862 -11.648 -0.150 315 1HD ARG 43 HD2 ARG 43 6.784 -12.274 -2.335 316 2HD ARG 43 HD1 ARG 43 8.348 -11.613 -1.874 317 HE ARG 43 HE ARG 43 7.794 -13.487 0.101 318 1HH1 ARG 43 HH11 ARG 43 9.924 -13.621 -2.147 319 2HH1 ARG 43 HH12 ARG 43 9.572 -15.181 -2.813 320 1HH2 ARG 43 HH21 ARG 43 6.478 -15.436 -1.271 321 2HH2 ARG 43 HH22 ARG 43 7.621 -16.208 -2.317 322 H CYS 44 HN CYS 44 5.497 -7.581 -2.958 323 HA CYS 44 HA CYS 44 3.240 -6.584 -1.504 324 1HB CYS 44 HB2 CYS 44 4.825 -5.507 -3.807 325 2HB CYS 44 HB1 CYS 44 3.347 -4.707 -3.255 326 H CYS 45 HN CYS 45 3.568 -7.875 -4.809 327 HA CYS 45 HA CYS 45 0.888 -7.071 -5.610 328 1HB CYS 45 HB2 CYS 45 2.782 -9.121 -6.809 329 2HB CYS 45 HB1 CYS 45 1.275 -8.601 -7.542 330 H ARG 46 HN ARG 46 2.300 -9.864 -4.043 331 HA ARG 46 HA ARG 46 0.000 -11.601 -4.375 332 1HB ARG 46 HB2 ARG 46 2.474 -12.171 -3.746 333 2HB ARG 46 HB1 ARG 46 1.959 -11.843 -2.106 334 1HG ARG 46 HG2 ARG 46 0.115 -13.468 -2.348 335 2HG ARG 46 HG1 ARG 46 0.675 -13.846 -3.978 336 1HD ARG 46 HD2 ARG 46 2.983 -14.125 -2.485 337 2HD ARG 46 HD1 ARG 46 1.742 -14.722 -1.382 338 HE ARG 46 HE ARG 46 1.499 -15.812 -4.079 339 1HH1 ARG 46 HH21 ARG 46 4.108 -16.052 -2.094 340 2HH1 ARG 46 HH22 ARG 46 3.944 -17.738 -1.733 341 1HH2 ARG 46 HH11 ARG 46 0.788 -18.004 -3.143 342 2HH2 ARG 46 HH12 ARG 46 2.064 -18.844 -2.328 343 H GLN 47 HN GLN 47 1.071 -9.199 -2.025 344 HA GLN 47 HA GLN 47 -1.004 -9.868 -0.058 345 1HB GLN 47 HB2 GLN 47 0.694 -7.365 -0.268 346 2HB GLN 47 HB1 GLN 47 -0.214 -7.902 1.145 347 1HG GLN 47 HG2 GLN 47 1.394 -10.106 0.392 348 2HG GLN 47 HG1 GLN 47 2.437 -8.689 0.280 349 1HE2 GLN 47 HE22 GLN 47 2.898 -8.691 3.758 350 2HE2 GLN 47 HE21 GLN 47 3.566 -8.484 2.211 351 H LEU 48 HN LEU 48 -0.595 -7.511 -2.637 352 HA LEU 48 HA LEU 48 -2.897 -5.904 -2.030 353 1HB LEU 48 HB2 LEU 48 -0.842 -5.373 -3.543 354 2HB LEU 48 HB1 LEU 48 -1.742 -6.223 -4.797 355 HG LEU 48 HG LEU 48 -3.341 -4.253 -3.287 356 1HD1 LEU 48 HD11 LEU 48 -1.166 -3.074 -3.377 357 2HD1 LEU 48 HD13 LEU 48 -1.114 -3.323 -5.123 358 3HD1 LEU 48 HD12 LEU 48 -2.366 -2.303 -4.414 359 1HD2 LEU 48 HD23 LEU 48 -3.606 -5.635 -5.620 360 2HD2 LEU 48 HD22 LEU 48 -4.468 -4.138 -5.272 361 3HD2 LEU 48 HD21 LEU 48 -2.992 -4.099 -6.228 362 H GLU 49 HN GLU 49 -2.329 -8.747 -4.072 363 HA GLU 49 HA GLU 49 -5.028 -8.748 -5.187 364 1HB GLU 49 HB2 GLU 49 -2.951 -9.835 -6.243 365 2HB GLU 49 HB1 GLU 49 -3.136 -11.117 -5.045 366 1HG GLU 49 HG2 GLU 49 -5.640 -11.119 -5.902 367 2HG GLU 49 HG1 GLU 49 -4.922 -10.400 -7.342 368 H ALA 50 HN ALA 50 -3.333 -10.449 -2.545 369 HA ALA 50 HA ALA 50 -5.390 -12.226 -1.706 370 1HB ALA 50 HB2 ALA 50 -2.898 -11.409 -0.692 371 2HB ALA 50 HB1 ALA 50 -4.048 -10.969 0.567 372 3HB ALA 50 HB3 ALA 50 -3.952 -12.636 0.003 373 H ILE 51 HN ILE 51 -4.829 -8.823 -1.137 374 HA ILE 51 HA ILE 51 -7.181 -8.389 0.538 375 HB ILE 51 HB ILE 51 -5.320 -6.455 -0.892 376 1HG1 ILE 51 HG12 ILE 51 -5.423 -7.038 2.067 377 2HG1 ILE 51 HG11 ILE 51 -4.456 -8.041 0.985 378 1HG2 ILE 51 HG22 ILE 51 -7.390 -5.983 1.279 379 2HG2 ILE 51 HG21 ILE 51 -6.276 -4.771 0.647 380 3HG2 ILE 51 HG23 ILE 51 -7.521 -5.455 -0.398 381 1HD1 ILE 51 HD12 ILE 51 -3.276 -6.013 0.184 382 2HD1 ILE 51 HD11 ILE 51 -4.215 -5.035 1.312 383 3HD1 ILE 51 HD13 ILE 51 -3.079 -6.237 1.923 384 HA PRO 52 HA PRO 52 -9.483 -8.682 -3.371 385 1HB PRO 52 HB2 PRO 52 -11.989 -8.335 -2.251 386 2HB PRO 52 HB1 PRO 52 -11.140 -9.887 -2.366 387 1HG PRO 52 HG2 PRO 52 -11.424 -8.062 0.003 388 2HG PRO 52 HG1 PRO 52 -11.381 -9.834 -0.052 389 1HD PRO 52 HD2 PRO 52 -9.213 -8.312 0.701 390 2HD PRO 52 HD1 PRO 52 -9.062 -9.910 -0.059 391 H ALA 53 HN ALA 53 -10.549 -7.190 -4.730 392 HA ALA 53 HA ALA 53 -9.778 -4.562 -4.801 393 1HB ALA 53 HB1 ALA 53 -11.365 -6.087 -6.362 394 2HB ALA 53 HB3 ALA 53 -12.567 -4.980 -5.699 395 3HB ALA 53 HB2 ALA 53 -11.176 -4.348 -6.579 396 H TYR 54 HN TYR 54 -12.410 -5.830 -2.835 397 HA TYR 54 HA TYR 54 -13.630 -3.305 -2.158 398 1HB TYR 54 HB2 TYR 54 -13.641 -6.075 -1.002 399 2HB TYR 54 HB1 TYR 54 -14.242 -4.750 -0.008 400 HD1 TYR 54 HD1 TYR 54 -16.239 -3.484 -0.659 401 HD2 TYR 54 HD2 TYR 54 -14.790 -6.747 -3.049 402 HE1 TYR 54 HE1 TYR 54 -18.393 -3.542 -1.887 403 HE2 TYR 54 HE2 TYR 54 -16.943 -6.802 -4.277 404 HH TYR 54 HH TYR 54 -19.712 -5.279 -3.197 405 H CYS 55 HN CYS 55 -12.698 -1.709 -0.974 406 HA CYS 55 HA CYS 55 -11.316 -0.584 0.557 407 1HB CYS 55 HB2 CYS 55 -11.487 -3.314 1.858 408 2HB CYS 55 HB1 CYS 55 -10.620 -1.965 2.585 409 H ARG 56 HN ARG 56 -10.135 -2.503 -1.745 410 HA ARG 56 HA ARG 56 -7.643 -3.536 -1.028 411 1HB ARG 56 HB2 ARG 56 -8.593 -3.799 -3.269 412 2HB ARG 56 HB1 ARG 56 -8.416 -2.078 -3.583 413 1HG ARG 56 HG2 ARG 56 -6.461 -2.763 -4.570 414 2HG ARG 56 HG1 ARG 56 -5.855 -2.685 -2.922 415 1HD ARG 56 HD2 ARG 56 -5.201 -4.830 -3.600 416 2HD ARG 56 HD1 ARG 56 -6.689 -5.130 -2.723 417 HE ARG 56 HE ARG 56 -7.299 -6.206 -4.744 418 1HH1 ARG 56 HH21 ARG 56 -8.183 -3.444 -5.717 419 2HH1 ARG 56 HH22 ARG 56 -7.401 -3.378 -7.262 420 1HH2 ARG 56 HH11 ARG 56 -5.274 -6.025 -6.605 421 2HH2 ARG 56 HH12 ARG 56 -5.764 -4.837 -7.764 422 H CYS 57 HN CYS 57 -7.343 -0.563 -2.974 423 HA CYS 57 HA CYS 57 -4.993 0.444 -2.109 424 1HB CYS 57 HB2 CYS 57 -7.532 1.956 -2.673 425 2HB CYS 57 HB1 CYS 57 -6.015 2.797 -2.336 426 H GLU 58 HN GLU 58 -7.880 0.668 0.037 427 HA GLU 58 HA GLU 58 -7.187 2.491 1.950 428 1HB GLU 58 HB2 GLU 58 -9.006 0.500 1.838 429 2HB GLU 58 HB1 GLU 58 -7.910 -0.173 3.045 430 1HG GLU 58 HG2 GLU 58 -9.191 1.089 4.468 431 2HG GLU 58 HG1 GLU 58 -8.075 2.361 3.967 432 H ALA 59 HN ALA 59 -5.886 -0.885 1.974 433 HA ALA 59 HA ALA 59 -4.308 -0.935 4.203 434 1HB ALA 59 HB2 ALA 59 -4.496 -2.546 2.073 435 2HB ALA 59 HB1 ALA 59 -2.917 -1.832 1.742 436 3HB ALA 59 HB3 ALA 59 -3.195 -2.695 3.255 437 H VAL 60 HN VAL 60 -3.237 0.549 1.152 438 HA VAL 60 HA VAL 60 -0.658 1.389 2.008 439 HB VAL 60 HB VAL 60 -2.477 2.884 0.096 440 1HG1 VAL 60 HG13 VAL 60 -0.158 3.774 1.013 441 2HG1 VAL 60 HG12 VAL 60 0.500 2.623 -0.150 442 3HG1 VAL 60 HG11 VAL 60 -0.556 3.924 -0.700 443 1HG2 VAL 60 HG21 VAL 60 -0.946 0.327 -0.154 444 2HG2 VAL 60 HG23 VAL 60 -2.480 0.789 -0.891 445 3HG2 VAL 60 HG22 VAL 60 -0.963 1.417 -1.539 446 H ARG 61 HN ARG 61 -3.769 3.128 2.033 447 HA ARG 61 HA ARG 61 -2.895 5.528 3.291 448 1HB ARG 61 HB2 ARG 61 -5.491 4.121 2.925 449 2HB ARG 61 HB1 ARG 61 -5.429 5.326 4.210 450 1HG ARG 61 HG2 ARG 61 -4.195 6.141 1.639 451 2HG ARG 61 HG1 ARG 61 -5.946 5.937 1.611 452 1HD ARG 61 HD2 ARG 61 -5.559 7.308 3.975 453 2HD ARG 61 HD1 ARG 61 -4.327 8.008 2.926 454 HE ARG 61 HE ARG 61 -6.894 7.838 1.591 455 1HH1 ARG 61 HH21 ARG 61 -6.708 9.242 4.486 456 2HH1 ARG 61 HH22 ARG 61 -6.769 10.892 3.961 457 1HH2 ARG 61 HH11 ARG 61 -6.234 10.125 0.622 458 2HH2 ARG 61 HH12 ARG 61 -6.501 11.392 1.774 459 H ILE 62 HN ILE 62 -3.531 2.356 4.597 460 HA ILE 62 HA ILE 62 -3.704 3.187 7.390 461 HB ILE 62 HB ILE 62 -3.493 0.529 5.948 462 1HG1 ILE 62 HG12 ILE 62 -5.692 1.239 7.824 463 2HG1 ILE 62 HG11 ILE 62 -5.624 2.114 6.296 464 1HG2 ILE 62 HG23 ILE 62 -3.091 1.090 8.844 465 2HG2 ILE 62 HG22 ILE 62 -4.125 -0.279 8.438 466 3HG2 ILE 62 HG21 ILE 62 -2.461 -0.228 7.856 467 1HD1 ILE 62 HD12 ILE 62 -5.430 -0.897 6.414 468 2HD1 ILE 62 HD11 ILE 62 -6.984 -0.066 6.315 469 3HD1 ILE 62 HD13 ILE 62 -5.799 0.119 5.021 470 H LEU 63 HN LEU 63 -1.154 2.112 5.215 471 HA LEU 63 HA LEU 63 0.732 1.660 7.372 472 1HB LEU 63 HB2 LEU 63 0.722 0.647 4.955 473 2HB LEU 63 HB1 LEU 63 1.527 2.147 4.505 474 HG LEU 63 HG LEU 63 2.504 0.330 6.724 475 1HD1 LEU 63 HD11 LEU 63 2.475 -0.458 4.164 476 2HD1 LEU 63 HD13 LEU 63 3.918 0.552 4.105 477 3HD1 LEU 63 HD12 LEU 63 3.839 -0.807 5.226 478 1HD2 LEU 63 HD22 LEU 63 3.428 2.867 5.442 479 2HD2 LEU 63 HD21 LEU 63 3.545 2.353 7.126 480 3HD2 LEU 63 HD23 LEU 63 4.657 1.698 5.925 481 H MET 64 HN MET 64 0.126 4.258 5.057 482 HA MET 64 HA MET 64 2.301 5.904 6.074 483 1HB MET 64 HB2 MET 64 1.333 5.982 3.705 484 2HB MET 64 HB1 MET 64 -0.046 6.846 4.392 485 1HG MET 64 HG2 MET 64 1.333 8.623 3.809 486 2HG MET 64 HG1 MET 64 1.840 8.350 5.476 487 1HE MET 64 HE2 MET 64 3.898 7.526 6.275 488 2HE MET 64 HE1 MET 64 5.386 7.781 5.368 489 3HE MET 64 HE3 MET 64 4.246 9.114 5.599 490 H ASP 65 HN ASP 65 -1.280 6.145 6.221 491 HA ASP 65 HA ASP 65 -1.086 8.270 8.223 492 1HB ASP 65 HB2 ASP 65 -3.725 6.980 7.417 493 2HB ASP 65 HB1 ASP 65 -3.406 8.604 8.014 494 H GLY 66 HN GLY 66 -1.352 4.810 8.320 495 1HA GLY 66 HA2 GLY 66 -1.147 3.487 10.297 496 2HA GLY 66 HA1 GLY 66 -1.417 4.934 11.269 497 H VAL 67 HN VAL 67 -2.723 2.286 11.438 498 HA VAL 67 HA VAL 67 -5.574 3.061 10.948 499 HB VAL 67 HB VAL 67 -4.941 1.145 9.609 500 1HG1 VAL 67 HG12 VAL 67 -3.752 0.242 12.187 501 2HG1 VAL 67 HG11 VAL 67 -4.408 -0.998 11.119 502 3HG1 VAL 67 HG13 VAL 67 -3.128 0.070 10.547 503 1HG2 VAL 67 HG23 VAL 67 -7.209 1.183 10.706 504 2HG2 VAL 67 HG22 VAL 67 -6.633 -0.435 10.303 505 3HG2 VAL 67 HG21 VAL 67 -6.547 0.142 11.968 506 H VAL 68 HN VAL 68 -7.126 2.231 12.510 507 HA VAL 68 HA VAL 68 -5.965 1.978 15.244 508 HB VAL 68 HB VAL 68 -8.503 3.330 14.279 509 1HG1 VAL 68 HG12 VAL 68 -7.727 2.519 17.097 510 2HG1 VAL 68 HG11 VAL 68 -8.909 3.783 16.755 511 3HG1 VAL 68 HG13 VAL 68 -9.215 2.124 16.238 512 1HG2 VAL 68 HG21 VAL 68 -5.877 4.132 15.409 513 2HG2 VAL 68 HG23 VAL 68 -6.920 4.987 14.274 514 3HG2 VAL 68 HG22 VAL 68 -7.275 5.028 16.001 515 H THR 69 HN THR 69 -7.171 0.621 16.695 516 HA THR 69 HA THR 69 -8.580 -1.617 15.340 517 HB THR 69 HB THR 69 -7.652 -3.044 17.200 518 HG1 THR 69 HG1 THR 69 -6.512 -2.122 18.679 519 1HG2 THR 69 HG22 THR 69 -6.097 -1.721 15.042 520 2HG2 THR 69 HG21 THR 69 -5.174 -2.642 16.230 521 3HG2 THR 69 HG23 THR 69 -6.444 -3.432 15.296 522 H SER 70 HN SER 70 -10.078 -2.788 16.665 523 HA SER 70 HA SER 70 -12.069 -1.153 17.828 524 1HB SER 70 HB2 SER 70 -12.461 -3.365 16.768 525 2HB SER 70 HB1 SER 70 -11.676 -4.135 18.143 526 HG SER 70 HG SER 70 -13.322 -3.518 19.438 527 H SER 71 HN SER 71 -9.361 -2.753 19.256 528 HA SER 71 HA SER 71 -10.343 -2.609 22.007 529 1HB SER 71 HB2 SER 71 -7.837 -3.128 22.471 530 2HB SER 71 HB1 SER 71 -8.822 -4.363 21.695 531 HG SER 71 HG SER 71 -6.893 -2.631 20.589 532 H GLY 72 HN GLY 72 -8.864 -0.392 19.854 533 1HA GLY 72 HA2 GLY 72 -8.705 1.988 20.437 534 2HA GLY 72 HA1 GLY 72 -8.391 1.496 22.103 535 H GLN 73 HN GLN 73 -6.700 -0.483 19.844 536 HA GLN 73 HA GLN 73 -4.151 0.894 20.561 537 1HB GLN 73 HB2 GLN 73 -4.634 -1.843 19.335 538 2HB GLN 73 HB1 GLN 73 -3.079 -1.213 19.884 539 1HG GLN 73 HG2 GLN 73 -3.832 -1.133 22.172 540 2HG GLN 73 HG1 GLN 73 -5.490 -1.501 21.696 541 1HE2 GLN 73 HE22 GLN 73 -4.467 -4.953 20.760 542 2HE2 GLN 73 HE21 GLN 73 -5.214 -3.649 19.972 543 H HIS 74 HN HIS 74 -2.538 1.238 18.822 544 HA HIS 74 HA HIS 74 -3.822 1.609 16.145 545 1HB HIS 74 HB2 HIS 74 -1.728 3.173 17.633 546 2HB HIS 74 HB1 HIS 74 -1.842 3.265 15.894 547 HD1 HIS 74 HD1 HIS 74 -2.839 5.544 15.548 548 HD2 HIS 74 HD2 HIS 74 -4.955 3.331 18.376 549 HE1 HIS 74 HE1 HIS 74 -4.895 6.901 16.127 550 H GLU 75 HN GLU 75 -2.436 1.178 14.317 551 HA GLU 75 HA GLU 75 0.079 -0.283 14.822 552 1HB GLU 75 HB2 GLU 75 -2.074 -1.494 13.078 553 2HB GLU 75 HB1 GLU 75 -0.553 -2.230 13.583 554 1HG GLU 75 HG2 GLU 75 -1.456 -1.858 16.003 555 2HG GLU 75 HG1 GLU 75 -3.028 -1.721 15.215 556 H GLY 76 HN GLY 76 0.851 -1.070 12.449 557 1HA GLY 76 HA2 GLY 76 1.761 -0.344 10.415 558 2HA GLY 76 HA1 GLY 76 0.248 0.533 10.175 559 H ARG 77 HN ARG 77 1.056 2.482 9.478 560 HA ARG 77 HA ARG 77 2.056 4.607 9.597 561 1HB ARG 77 HB2 ARG 77 0.562 4.537 11.663 562 2HB ARG 77 HB1 ARG 77 2.020 4.172 12.586 563 1HG ARG 77 HG2 ARG 77 3.019 6.251 12.048 564 2HG ARG 77 HG1 ARG 77 1.885 6.545 10.728 565 1HD ARG 77 HD2 ARG 77 0.899 7.872 12.328 566 2HD ARG 77 HD1 ARG 77 0.118 6.344 12.734 567 HE ARG 77 HE ARG 77 1.919 6.075 14.495 568 1HH1 ARG 77 HH11 ARG 77 2.721 8.890 12.988 569 2HH1 ARG 77 HH12 ARG 77 2.633 9.907 14.387 570 1HH2 ARG 77 HH21 ARG 77 1.139 7.493 16.377 571 2HH2 ARG 77 HH22 ARG 77 1.738 9.116 16.306 572 H LEU 78 HN LEU 78 3.822 2.057 9.745 573 HA LEU 78 HA LEU 78 6.129 2.885 11.331 574 1HB LEU 78 HB2 LEU 78 5.285 0.493 9.879 575 2HB LEU 78 HB1 LEU 78 6.982 0.866 9.589 576 HG LEU 78 HG LEU 78 6.370 1.236 12.399 577 1HD1 LEU 78 HD11 LEU 78 5.293 -1.207 11.079 578 2HD1 LEU 78 HD13 LEU 78 6.166 -1.436 12.594 579 3HD1 LEU 78 HD12 LEU 78 4.751 -0.385 12.542 580 1HD2 LEU 78 HD23 LEU 78 8.611 0.834 11.370 581 2HD2 LEU 78 HD22 LEU 78 8.247 -0.309 12.663 582 3HD2 LEU 78 HD21 LEU 78 8.106 -0.810 10.979 583 H LEU 79 HN LEU 79 5.001 3.612 8.147 584 HA LEU 79 HA LEU 79 7.541 3.982 6.841 585 1HB LEU 79 HB2 LEU 79 4.826 4.204 6.122 586 2HB LEU 79 HB1 LEU 79 5.476 5.826 5.921 587 HG LEU 79 HG LEU 79 7.281 4.956 4.501 588 1HD1 LEU 79 HD11 LEU 79 6.515 2.450 5.683 589 2HD1 LEU 79 HD13 LEU 79 6.354 2.316 3.930 590 3HD1 LEU 79 HD12 LEU 79 7.894 2.798 4.641 591 1HD2 LEU 79 HD22 LEU 79 4.424 4.708 3.880 592 2HD2 LEU 79 HD21 LEU 79 5.722 5.416 2.921 593 3HD2 LEU 79 HD23 LEU 79 5.427 3.679 2.860 594 H GLN 80 HN GLN 80 8.874 5.087 8.302 595 HA GLN 80 HA GLN 80 8.201 7.970 8.737 596 1HB GLN 80 HB2 GLN 80 9.655 6.070 10.600 597 2HB GLN 80 HB1 GLN 80 9.513 7.809 10.858 598 1HG GLN 80 HG2 GLN 80 6.953 6.428 10.315 599 2HG GLN 80 HG1 GLN 80 7.735 5.967 11.827 600 1HE2 GLN 80 HE22 GLN 80 6.387 8.846 13.340 601 2HE2 GLN 80 HE21 GLN 80 6.612 7.163 13.399 602 H ASP 81 HN ASP 81 10.355 9.134 9.372 603 HA ASP 81 HA ASP 81 12.033 9.124 7.089 604 1HB ASP 81 HB2 ASP 81 12.534 10.264 9.860 605 2HB ASP 81 HB1 ASP 81 13.519 10.594 8.431 606 H LEU 82 HN LEU 82 13.040 7.289 6.619 607 HA LEU 82 HA LEU 82 14.533 5.668 8.562 608 1HB LEU 82 HB2 LEU 82 13.992 5.554 5.595 609 2HB LEU 82 HB1 LEU 82 15.260 4.553 6.277 610 HG LEU 82 HG LEU 82 12.457 4.583 7.407 611 1HD1 LEU 82 HD11 LEU 82 13.616 2.783 5.256 612 2HD1 LEU 82 HD13 LEU 82 12.097 2.482 6.099 613 3HD1 LEU 82 HD12 LEU 82 12.267 3.904 5.070 614 1HD2 LEU 82 HD23 LEU 82 14.948 3.326 8.126 615 2HD2 LEU 82 HD22 LEU 82 13.386 3.200 8.931 616 3HD2 LEU 82 HD21 LEU 82 13.805 2.073 7.645 617 HA PRO 83 HA PRO 83 18.393 7.731 7.974 618 1HB PRO 83 HB2 PRO 83 20.240 5.740 7.485 619 2HB PRO 83 HB1 PRO 83 19.581 6.111 9.087 620 1HG PRO 83 HG2 PRO 83 18.910 3.848 7.252 621 2HG PRO 83 HG1 PRO 83 18.863 3.910 9.022 622 1HD PRO 83 HD2 PRO 83 16.627 4.084 7.369 623 2HD PRO 83 HD1 PRO 83 16.676 4.636 9.051 624 H GLY 84 HN GLY 84 18.069 8.917 6.125 625 1HA GLY 84 HA2 GLY 84 19.060 9.579 4.024 626 2HA GLY 84 HA1 GLY 84 19.303 7.880 3.624 627 H CYS 85 HN CYS 85 16.164 8.194 4.910 628 HA CYS 85 HA CYS 85 14.957 8.840 2.265 629 1HB CYS 85 HB2 CYS 85 13.902 6.524 3.873 630 2HB CYS 85 HB1 CYS 85 13.683 6.867 2.162 631 HA PRO 86 HA PRO 86 12.709 10.919 5.716 632 1HB PRO 86 HB2 PRO 86 12.027 13.169 4.262 633 2HB PRO 86 HB1 PRO 86 13.519 13.009 5.176 634 1HG PRO 86 HG2 PRO 86 13.099 12.864 2.238 635 2HG PRO 86 HG1 PRO 86 14.552 13.331 3.135 636 1HD PRO 86 HD2 PRO 86 14.136 10.852 1.881 637 2HD PRO 86 HD1 PRO 86 15.384 11.189 3.096 638 H ARG 87 HN ARG 87 10.377 11.540 5.887 639 HA ARG 87 HA ARG 87 8.507 9.878 4.669 640 1HB ARG 87 HB2 ARG 87 8.151 12.750 5.577 641 2HB ARG 87 HB1 ARG 87 6.829 11.643 5.232 642 1HG ARG 87 HG2 ARG 87 8.896 10.633 7.082 643 2HG ARG 87 HG1 ARG 87 7.915 11.969 7.684 644 1HD ARG 87 HD2 ARG 87 6.451 9.778 6.304 645 2HD ARG 87 HD1 ARG 87 7.124 9.389 7.882 646 HE ARG 87 HE ARG 87 5.697 11.898 7.959 647 1HH1 ARG 87 HH21 ARG 87 5.816 8.962 9.400 648 2HH1 ARG 87 HH22 ARG 87 4.107 8.726 9.558 649 1HH2 ARG 87 HH11 ARG 87 3.281 11.394 7.503 650 2HH2 ARG 87 HH12 ARG 87 2.673 10.103 8.484 651 H GLN 88 HN GLN 88 9.941 12.857 3.506 652 HA GLN 88 HA GLN 88 8.133 13.640 1.475 653 1HB GLN 88 HB2 GLN 88 11.154 13.745 1.269 654 2HB GLN 88 HB1 GLN 88 9.999 14.786 0.434 655 1HG GLN 88 HG2 GLN 88 9.214 15.142 3.023 656 2HG GLN 88 HG1 GLN 88 10.946 14.885 3.238 657 1HE2 GLN 88 HE22 GLN 88 11.494 17.734 0.799 658 2HE2 GLN 88 HE21 GLN 88 11.782 16.064 0.697 659 H VAL 89 HN VAL 89 10.902 11.387 1.122 660 HA VAL 89 HA VAL 89 10.423 10.725 -1.618 661 HB VAL 89 HB VAL 89 11.753 9.153 0.607 662 1HG1 VAL 89 HG13 VAL 89 11.656 8.844 -2.387 663 2HG1 VAL 89 HG12 VAL 89 13.057 8.281 -1.473 664 3HG1 VAL 89 HG11 VAL 89 11.461 7.606 -1.145 665 1HG2 VAL 89 HG22 VAL 89 12.536 11.527 0.044 666 2HG2 VAL 89 HG21 VAL 89 13.743 10.244 0.022 667 3HG2 VAL 89 HG23 VAL 89 13.069 10.844 -1.491 668 H GLN 90 HN GLN 90 9.311 9.457 1.447 669 HA GLN 90 HA GLN 90 7.970 7.110 0.477 670 1HB GLN 90 HB2 GLN 90 6.945 8.701 2.833 671 2HB GLN 90 HB1 GLN 90 6.935 6.958 2.601 672 1HG GLN 90 HG2 GLN 90 9.347 8.698 3.206 673 2HG GLN 90 HG1 GLN 90 8.620 7.491 4.255 674 1HE2 GLN 90 HE22 GLN 90 11.557 6.271 1.956 675 2HE2 GLN 90 HE21 GLN 90 11.324 7.846 2.545 676 H ARG 91 HN ARG 91 7.152 10.498 0.494 677 HA ARG 91 HA ARG 91 4.319 10.112 -0.069 678 1HB ARG 91 HB2 ARG 91 5.839 12.244 0.835 679 2HB ARG 91 HB1 ARG 91 5.478 12.709 -0.828 680 1HG ARG 91 HG2 ARG 91 3.582 13.516 0.226 681 2HG ARG 91 HG1 ARG 91 3.038 11.882 -0.157 682 1HD ARG 91 HD2 ARG 91 4.282 11.449 2.232 683 2HD ARG 91 HD1 ARG 91 3.679 13.089 2.469 684 HE ARG 91 HE ARG 91 1.971 10.708 1.898 685 1HH1 ARG 91 HH21 ARG 91 1.516 13.879 1.334 686 2HH1 ARG 91 HH22 ARG 91 0.299 14.152 2.536 687 1HH2 ARG 91 HH11 ARG 91 0.787 11.099 4.105 688 2HH2 ARG 91 HH12 ARG 91 -0.114 12.578 4.104 689 H ALA 92 HN ALA 92 7.272 10.746 -1.950 690 HA ALA 92 HA ALA 92 5.982 11.210 -4.476 691 1HB ALA 92 HB1 ALA 92 8.749 10.190 -3.778 692 2HB ALA 92 HB3 ALA 92 8.237 10.558 -5.425 693 3HB ALA 92 HB2 ALA 92 8.295 11.838 -4.212 694 H PHE 93 HN PHE 93 7.407 8.260 -3.058 695 HA PHE 93 HA PHE 93 6.503 6.546 -5.236 696 1HB PHE 93 HB2 PHE 93 8.541 5.958 -4.047 697 2HB PHE 93 HB1 PHE 93 7.676 5.929 -2.512 698 HD1 PHE 93 HD2 PHE 93 6.040 4.140 -2.008 699 HD2 PHE 93 HD1 PHE 93 8.354 4.127 -5.625 700 HE1 PHE 93 HE2 PHE 93 5.443 1.762 -2.382 701 HE2 PHE 93 HE1 PHE 93 7.755 1.750 -6.002 702 HZ PHE 93 HZ PHE 93 6.304 0.568 -4.380 703 H ALA 94 HN ALA 94 5.211 7.584 -2.169 704 HA ALA 94 HA ALA 94 3.555 5.623 -1.272 705 1HB ALA 94 HB1 ALA 94 3.361 8.570 -1.343 706 2HB ALA 94 HB3 ALA 94 1.840 7.730 -1.040 707 3HB ALA 94 HB2 ALA 94 3.223 7.462 0.021 708 HA PRO 95 HA PRO 95 0.093 6.462 -4.458 709 1HB PRO 95 HB2 PRO 95 0.673 8.074 -6.618 710 2HB PRO 95 HB1 PRO 95 -0.063 8.659 -5.116 711 1HG PRO 95 HG2 PRO 95 2.734 8.994 -6.091 712 2HG PRO 95 HG1 PRO 95 1.797 10.019 -4.991 713 1HD PRO 95 HD2 PRO 95 3.787 8.179 -4.229 714 2HD PRO 95 HD1 PRO 95 2.618 8.935 -3.138 715 H LYS 96 HN LYS 96 -0.063 6.020 -7.095 716 HA LYS 96 HA LYS 96 0.527 4.575 -8.855 717 1HB LYS 96 HB2 LYS 96 3.326 4.461 -7.703 718 2HB LYS 96 HB1 LYS 96 2.832 4.220 -9.376 719 1HG LYS 96 HG2 LYS 96 2.069 6.630 -9.407 720 2HG LYS 96 HG1 LYS 96 2.817 6.820 -7.820 721 1HD LYS 96 HD2 LYS 96 4.846 5.628 -9.228 722 2HD LYS 96 HD1 LYS 96 4.079 6.599 -10.484 723 1HE LYS 96 HE2 LYS 96 5.060 7.610 -7.798 724 2HE LYS 96 HE1 LYS 96 5.819 7.911 -9.362 725 1HZ LYS 96 HZ1 LYS 96 3.617 8.904 -10.034 726 2HZ LYS 96 HZ3 LYS 96 3.191 8.872 -8.393 727 3HZ LYS 96 HZ2 LYS 96 4.523 9.794 -8.906 728 H LEU 97 HN LEU 97 -0.290 3.709 -6.101 729 HA LEU 97 HA LEU 97 1.083 1.209 -5.528 730 1HB LEU 97 HB2 LEU 97 -1.124 0.790 -4.125 731 2HB LEU 97 HB1 LEU 97 0.097 1.929 -3.580 732 HG LEU 97 HG LEU 97 -1.991 3.066 -5.362 733 1HD1 LEU 97 HD11 LEU 97 -3.290 1.493 -3.935 734 2HD1 LEU 97 HD13 LEU 97 -2.616 2.273 -2.506 735 3HD1 LEU 97 HD12 LEU 97 -3.665 3.182 -3.590 736 1HD2 LEU 97 HD23 LEU 97 -0.205 4.409 -4.263 737 2HD2 LEU 97 HD22 LEU 97 -1.815 4.912 -3.748 738 3HD2 LEU 97 HD21 LEU 97 -0.822 3.909 -2.689 739 H VAL 98 HN VAL 98 -2.423 1.539 -6.471 740 HA VAL 98 HA VAL 98 -2.275 -1.159 -7.658 741 HB VAL 98 HB VAL 98 -4.675 -0.916 -7.985 742 1HG1 VAL 98 HG13 VAL 98 -3.838 -1.656 -5.830 743 2HG1 VAL 98 HG12 VAL 98 -3.755 0.019 -5.282 744 3HG1 VAL 98 HG11 VAL 98 -5.318 -0.718 -5.641 745 1HG2 VAL 98 HG21 VAL 98 -4.594 1.574 -8.471 746 2HG2 VAL 98 HG23 VAL 98 -5.880 1.088 -7.365 747 3HG2 VAL 98 HG22 VAL 98 -4.411 1.833 -6.736 748 H THR 99 HN THR 99 -0.891 1.220 -8.897 749 HA THR 99 HA THR 99 -2.327 1.416 -11.475 750 HB THR 99 HB THR 99 -0.908 3.305 -11.989 751 HG1 THR 99 HG1 THR 99 0.578 2.415 -9.746 752 1HG2 THR 99 HG23 THR 99 -2.694 3.427 -10.070 753 2HG2 THR 99 HG22 THR 99 -1.277 3.677 -9.049 754 3HG2 THR 99 HG21 THR 99 -1.620 4.793 -10.373 755 H GLU 100 HN GLU 100 -0.686 1.386 -13.482 756 HA GLU 100 HA GLU 100 0.441 -1.221 -13.600 757 1HB GLU 100 HB2 GLU 100 -0.080 0.825 -15.392 758 2HB GLU 100 HB1 GLU 100 1.678 0.715 -15.431 759 1HG GLU 100 HG2 GLU 100 -0.023 -1.767 -15.601 760 2HG GLU 100 HG1 GLU 100 0.319 -0.807 -17.040 761 H VAL 101 HN VAL 101 1.801 1.351 -11.753 762 HA VAL 101 HA VAL 101 4.580 0.570 -12.400 763 HB VAL 101 HB VAL 101 3.604 2.657 -10.433 764 1HG1 VAL 101 HG11 VAL 101 6.260 1.937 -11.673 765 2HG1 VAL 101 HG13 VAL 101 5.955 3.557 -11.045 766 3HG1 VAL 101 HG12 VAL 101 5.869 2.163 -9.968 767 1HG2 VAL 101 HG22 VAL 101 4.201 2.789 -13.397 768 2HG2 VAL 101 HG21 VAL 101 2.764 3.360 -12.549 769 3HG2 VAL 101 HG23 VAL 101 4.294 4.218 -12.368 770 H GLU 102 HN GLU 102 2.221 -0.685 -10.394 771 HA GLU 102 HA GLU 102 4.309 -1.752 -8.569 772 1HB GLU 102 HB2 GLU 102 2.060 -0.016 -7.798 773 2HB GLU 102 HB1 GLU 102 2.201 -1.483 -6.830 774 1HG GLU 102 HG2 GLU 102 4.811 -0.720 -6.938 775 2HG GLU 102 HG1 GLU 102 4.017 0.855 -6.993 776 H CYS 103 HN CYS 103 0.829 -2.234 -8.037 777 HA CYS 103 HA CYS 103 0.989 -4.953 -9.279 778 1HB CYS 103 HB2 CYS 103 0.109 -4.431 -6.417 779 2HB CYS 103 HB1 CYS 103 0.150 -5.994 -7.231 780 H ASN 104 HN ASN 104 -0.460 -2.721 -10.321 781 HA ASN 104 HA ASN 104 -3.000 -2.093 -9.589 782 1HB ASN 104 HB2 ASN 104 -1.884 -1.353 -11.662 783 2HB ASN 104 HB1 ASN 104 -2.194 -2.921 -12.381 784 1HD2 ASN 104 HD22 ASN 104 -4.947 -0.846 -13.622 785 2HD2 ASN 104 HD21 ASN 104 -3.285 -1.062 -13.895 786 H LEU 105 HN LEU 105 -2.611 -4.831 -11.877 787 HA LEU 105 HA LEU 105 -4.065 -6.665 -12.243 788 1HB LEU 105 HB2 LEU 105 -4.080 -6.435 -9.222 789 2HB LEU 105 HB1 LEU 105 -4.810 -7.786 -10.087 790 HG LEU 105 HG LEU 105 -2.074 -7.195 -10.989 791 1HD1 LEU 105 HD13 LEU 105 -2.283 -6.766 -8.345 792 2HD1 LEU 105 HD12 LEU 105 -2.147 -8.523 -8.322 793 3HD1 LEU 105 HD11 LEU 105 -0.875 -7.550 -9.060 794 1HD2 LEU 105 HD23 LEU 105 -3.756 -9.289 -11.189 795 2HD2 LEU 105 HD22 LEU 105 -2.004 -9.481 -11.245 796 3HD2 LEU 105 HD21 LEU 105 -2.874 -9.781 -9.742 797 H ALA 106 HN ALA 106 -5.321 -3.882 -12.146 798 HA ALA 106 HA ALA 106 -7.444 -2.954 -12.399 799 1HB ALA 106 HB1 ALA 106 -7.781 -5.782 -12.884 800 2HB ALA 106 HB3 ALA 106 -9.172 -5.201 -11.966 801 3HB ALA 106 HB2 ALA 106 -8.749 -4.445 -13.502 802 H THR 107 HN THR 107 -9.422 -2.507 -11.116 803 HA THR 107 HA THR 107 -9.115 -3.181 -8.216 804 HB THR 107 HB THR 107 -9.193 -0.852 -7.639 805 HG1 THR 107 HG1 THR 107 -9.775 -0.443 -10.394 806 1HG2 THR 107 HG23 THR 107 -7.111 -1.754 -9.081 807 2HG2 THR 107 HG22 THR 107 -7.651 -0.432 -10.118 808 3HG2 THR 107 HG21 THR 107 -7.218 -0.114 -8.438 809 H ILE 108 HN ILE 108 -11.220 -1.477 -7.340 810 HA ILE 108 HA ILE 108 -13.574 -2.989 -8.270 811 HB ILE 108 HB ILE 108 -13.090 -2.808 -5.842 812 1HG1 ILE 108 HG12 ILE 108 -15.545 -1.320 -5.707 813 2HG1 ILE 108 HG11 ILE 108 -15.581 -2.299 -7.171 814 1HG2 ILE 108 HG23 ILE 108 -12.148 -0.447 -5.979 815 2HG2 ILE 108 HG22 ILE 108 -13.807 0.130 -6.102 816 3HG2 ILE 108 HG21 ILE 108 -13.276 -0.718 -4.652 817 1HD1 ILE 108 HD11 ILE 108 -14.612 -4.144 -5.476 818 2HD1 ILE 108 HD13 ILE 108 -15.500 -3.155 -4.318 819 3HD1 ILE 108 HD12 ILE 108 -16.343 -3.881 -5.685 820 H HIS 109 HN HIS 109 -12.661 0.448 -7.833 821 HA HIS 109 HA HIS 109 -15.073 1.619 -8.758 822 1HB HIS 109 HB2 HIS 109 -13.119 3.392 -9.760 823 2HB HIS 109 HB1 HIS 109 -13.980 3.518 -8.231 824 HD1 HIS 109 HD1 HIS 109 -11.067 1.507 -9.520 825 HD2 HIS 109 HD2 HIS 109 -12.062 3.662 -6.162 826 HE1 HIS 109 HE1 HIS 109 -9.251 1.126 -7.820 827 H GLY 110 HN GLY 110 -12.653 -0.058 -10.605 828 1HA GLY 110 HA2 GLY 110 -13.289 -0.965 -12.779 829 2HA GLY 110 HA1 GLY 110 -14.294 0.452 -13.029 830 H GLY 111 HN GLY 111 -10.776 -0.345 -12.583 831 1HA GLY 111 HA2 GLY 111 -9.614 0.404 -14.841 832 2HA GLY 111 HA1 GLY 111 -10.136 1.996 -14.302 833 HA PRO 112 HA PRO 112 -5.929 0.868 -12.442 834 1HB PRO 112 HB2 PRO 112 -4.442 2.653 -13.948 835 2HB PRO 112 HB1 PRO 112 -4.654 0.947 -14.368 836 1HG PRO 112 HG2 PRO 112 -5.901 3.373 -15.570 837 2HG PRO 112 HG1 PRO 112 -5.582 1.794 -16.309 838 1HD PRO 112 HD2 PRO 112 -8.090 2.694 -15.412 839 2HD PRO 112 HD1 PRO 112 -7.664 1.006 -15.768 840 H PHE 113 HN PHE 113 -7.027 1.968 -10.649 841 HA PHE 113 HA PHE 113 -5.788 4.407 -9.809 842 1HB PHE 113 HB2 PHE 113 -7.695 6.002 -9.980 843 2HB PHE 113 HB1 PHE 113 -7.051 5.543 -11.539 844 HD1 PHE 113 HD1 PHE 113 -8.903 2.689 -10.460 845 HD2 PHE 113 HD2 PHE 113 -9.455 6.718 -11.881 846 HE1 PHE 113 HE1 PHE 113 -11.145 2.103 -11.318 847 HE2 PHE 113 HE2 PHE 113 -11.699 6.113 -12.710 848 HZ PHE 113 HZ PHE 113 -12.546 3.808 -12.428 849 H CYS 114 HN CYS 114 -7.451 5.589 -8.127 850 HA CYS 114 HA CYS 114 -9.480 4.449 -6.702 851 1HB CYS 114 HB2 CYS 114 -8.539 3.189 -4.858 852 2HB CYS 114 HB1 CYS 114 -8.202 2.393 -6.368 853 H LEU 115 HN LEU 115 -9.070 4.889 -4.104 854 HA LEU 115 HA LEU 115 -8.642 6.458 -2.440 855 1HB LEU 115 HB2 LEU 115 -6.311 6.602 -4.164 856 2HB LEU 115 HB1 LEU 115 -6.687 8.194 -3.510 857 HG LEU 115 HG LEU 115 -6.850 5.943 -1.582 858 1HD1 LEU 115 HD13 LEU 115 -4.740 5.709 -3.191 859 2HD1 LEU 115 HD12 LEU 115 -4.108 6.992 -2.160 860 3HD1 LEU 115 HD11 LEU 115 -4.591 5.451 -1.453 861 1HD2 LEU 115 HD22 LEU 115 -7.173 8.369 -1.025 862 2HD2 LEU 115 HD21 LEU 115 -5.871 7.614 -0.104 863 3HD2 LEU 115 HD23 LEU 115 -5.492 8.656 -1.476 864 H SER 116 HN SER 116 -7.767 8.652 -5.104 865 HA SER 116 HA SER 116 -9.914 10.477 -4.258 866 1HB SER 116 HB2 SER 116 -7.886 10.841 -6.478 867 2HB SER 116 HB1 SER 116 -8.853 12.095 -5.707 868 HG SER 116 HG SER 116 -7.680 11.880 -3.880 869 H LEU 117 HN LEU 117 -8.858 9.505 -7.544 870 HA LEU 117 HA LEU 117 -10.085 8.948 -9.450 871 1HB LEU 117 HB2 LEU 117 -11.600 7.838 -7.231 872 2HB LEU 117 HB1 LEU 117 -12.685 8.371 -8.512 873 HG LEU 117 HG LEU 117 -10.984 7.144 -10.094 874 1HD1 LEU 117 HD11 LEU 117 -10.254 6.198 -7.357 875 2HD1 LEU 117 HD13 LEU 117 -10.325 4.989 -8.638 876 3HD1 LEU 117 HD12 LEU 117 -9.241 6.372 -8.790 877 1HD2 LEU 117 HD23 LEU 117 -13.440 6.559 -9.233 878 2HD2 LEU 117 HD22 LEU 117 -12.506 5.400 -10.177 879 3HD2 LEU 117 HD21 LEU 117 -12.583 5.249 -8.422 880 H LEU 118 HN LEU 118 -12.989 10.097 -7.719 881 HA LEU 118 HA LEU 118 -13.759 11.897 -9.744 882 1HB LEU 118 HB2 LEU 118 -14.504 11.605 -6.854 883 2HB LEU 118 HB1 LEU 118 -15.071 12.996 -7.770 884 HG LEU 118 HG LEU 118 -15.663 11.093 -9.555 885 1HD1 LEU 118 HD11 LEU 118 -15.307 9.704 -6.932 886 2HD1 LEU 118 HD13 LEU 118 -16.660 9.212 -7.951 887 3HD1 LEU 118 HD12 LEU 118 -15.010 9.110 -8.566 888 1HD2 LEU 118 HD21 LEU 118 -17.118 12.737 -8.034 889 2HD2 LEU 118 HD23 LEU 118 -17.871 11.430 -8.947 890 3HD2 LEU 118 HD22 LEU 118 -17.536 11.226 -7.227 891 H GLY 119 HN GLY 119 -11.233 12.438 -7.421 892 1HA GLY 119 HA2 GLY 119 -9.787 14.275 -7.220 893 2HA GLY 119 HA1 GLY 119 -10.675 15.054 -8.528 894 H ALA 120 HN ALA 120 -9.777 15.821 -5.639 895 HA ALA 120 HA ALA 120 -10.561 17.242 -3.952 896 1HB ALA 120 HB3 ALA 120 -11.531 18.251 -6.260 897 2HB ALA 120 HB2 ALA 120 -13.049 17.892 -5.437 898 3HB ALA 120 HB1 ALA 120 -11.872 18.966 -4.684 899 H GLY 121 HN GLY 121 -10.944 15.099 -2.848 900 1HA GLY 121 HA2 GLY 121 -13.801 14.361 -2.530 901 2HA GLY 121 HA1 GLY 121 -12.427 13.435 -1.924 902 H GLU 122 HN GLU 122 -12.391 16.878 -1.416 903 HA GLU 122 HA GLU 122 -13.790 17.029 1.077 904 1HB GLU 122 HB2 GLU 122 -11.880 15.481 1.710 905 2HB GLU 122 HB1 GLU 122 -10.784 16.827 1.389 906 1HG GLU 122 HG2 GLU 122 -12.605 18.062 2.989 907 2HG GLU 122 HG1 GLU 122 -12.674 16.423 3.640 No H/Q in entry = 907 Start of MODEL 5 Raw file had 930 H/Q atoms Start of MODEL 5 1 1H SER 1 HT2 SER 1 -16.760 4.901 11.183 2 2H SER 1 HT1 SER 1 -15.575 5.929 11.836 3 3H SER 1 HT3 SER 1 -15.137 4.738 10.710 4 HA SER 1 HA SER 1 -14.486 3.858 12.758 5 1HB SER 1 HB2 SER 1 -17.044 5.126 13.659 6 2HB SER 1 HB1 SER 1 -16.448 3.724 14.542 7 HG SER 1 HG SER 1 -15.012 6.110 13.972 8 H VAL 2 HN VAL 2 -18.008 3.478 12.209 9 HA VAL 2 HA VAL 2 -17.888 0.591 12.423 10 HB VAL 2 HB VAL 2 -20.093 2.353 11.302 11 1HG1 VAL 2 HG11 VAL 2 -19.858 -0.558 11.976 12 2HG1 VAL 2 HG13 VAL 2 -21.396 0.255 12.267 13 3HG1 VAL 2 HG12 VAL 2 -20.714 0.213 10.641 14 1HG2 VAL 2 HG23 VAL 2 -19.163 2.605 13.772 15 2HG2 VAL 2 HG22 VAL 2 -20.899 2.599 13.465 16 3HG2 VAL 2 HG21 VAL 2 -20.100 1.136 14.038 17 H GLY 3 HN GLY 3 -19.188 2.354 9.587 18 1HA GLY 3 HA2 GLY 3 -18.365 2.226 7.326 19 2HA GLY 3 HA1 GLY 3 -17.353 0.859 7.797 20 H THR 4 HN THR 4 -19.685 1.411 5.756 21 HA THR 4 HA THR 4 -21.498 -0.821 6.494 22 HB THR 4 HB THR 4 -22.560 1.227 5.694 23 HG1 THR 4 HG1 THR 4 -23.481 -0.761 5.075 24 1HG2 THR 4 HG23 THR 4 -20.480 0.971 3.597 25 2HG2 THR 4 HG22 THR 4 -22.063 1.523 3.049 26 3HG2 THR 4 HG21 THR 4 -21.200 2.419 4.300 27 H SER 5 HN SER 5 -18.592 -1.047 5.493 28 HA SER 5 HA SER 5 -18.975 -3.399 3.876 29 1HB SER 5 HB2 SER 5 -18.036 -2.663 1.785 30 2HB SER 5 HB1 SER 5 -19.320 -1.530 2.185 31 HG SER 5 HG SER 5 -17.875 -0.014 2.257 32 H CYS 6 HN CYS 6 -16.847 -4.485 3.492 33 HA CYS 6 HA CYS 6 -14.705 -5.120 4.191 34 1HB CYS 6 HB2 CYS 6 -14.265 -2.150 4.635 35 2HB CYS 6 HB1 CYS 6 -13.031 -3.377 4.342 36 H ILE 7 HN ILE 7 -13.328 -5.239 6.183 37 HA ILE 7 HA ILE 7 -14.434 -4.091 8.660 38 HB ILE 7 HB ILE 7 -14.284 -6.720 9.482 39 1HG1 ILE 7 HG12 ILE 7 -15.776 -6.765 6.841 40 2HG1 ILE 7 HG11 ILE 7 -14.153 -7.422 7.041 41 1HG2 ILE 7 HG21 ILE 7 -16.563 -4.955 8.628 42 2HG2 ILE 7 HG23 ILE 7 -16.873 -6.580 9.238 43 3HG2 ILE 7 HG22 ILE 7 -16.053 -5.397 10.257 44 1HD1 ILE 7 HD13 ILE 7 -16.324 -8.271 8.933 45 2HD1 ILE 7 HD12 ILE 7 -16.247 -8.996 7.327 46 3HD1 ILE 7 HD11 ILE 7 -14.880 -9.150 8.430 47 HA PRO 8 HA PRO 8 -10.271 -4.499 9.995 48 1HB PRO 8 HB2 PRO 8 -10.528 -5.012 12.688 49 2HB PRO 8 HB1 PRO 8 -10.819 -3.424 11.957 50 1HG PRO 8 HG2 PRO 8 -12.796 -5.425 12.955 51 2HG PRO 8 HG1 PRO 8 -12.940 -3.662 12.845 52 1HD PRO 8 HD2 PRO 8 -14.085 -5.517 11.056 53 2HD PRO 8 HD1 PRO 8 -13.893 -3.776 10.761 54 H GLY 9 HN GLY 9 -8.626 -6.149 10.244 55 1HA GLY 9 HA2 GLY 9 -7.720 -8.295 10.353 56 2HA GLY 9 HA1 GLY 9 -8.993 -8.675 11.509 57 H MET 10 HN MET 10 -10.170 -7.545 8.479 58 HA MET 10 HA MET 10 -10.499 -10.288 7.386 59 1HB MET 10 HB2 MET 10 -12.695 -8.311 8.031 60 2HB MET 10 HB1 MET 10 -12.925 -9.653 6.909 61 1HG MET 10 HG2 MET 10 -11.701 -10.344 9.524 62 2HG MET 10 HG1 MET 10 -13.393 -9.852 9.572 63 1HE MET 10 HE1 MET 10 -11.347 -12.268 9.918 64 2HE MET 10 HE3 MET 10 -12.126 -13.776 9.423 65 3HE MET 10 HE2 MET 10 -10.972 -12.985 8.353 66 H ALA 11 HN ALA 11 -9.403 -9.888 5.308 67 HA ALA 11 HA ALA 11 -9.309 -9.071 3.097 68 1HB ALA 11 HB1 ALA 11 -11.718 -8.056 3.657 69 2HB ALA 11 HB3 ALA 11 -10.799 -6.553 3.731 70 3HB ALA 11 HB2 ALA 11 -10.800 -7.514 2.252 71 H ILE 12 HN ILE 12 -9.399 -6.374 5.445 72 HA ILE 12 HA ILE 12 -6.685 -5.572 4.530 73 HB ILE 12 HB ILE 12 -8.806 -3.945 5.967 74 1HG1 ILE 12 HG12 ILE 12 -7.774 -3.335 3.221 75 2HG1 ILE 12 HG11 ILE 12 -8.951 -4.635 3.398 76 1HG2 ILE 12 HG21 ILE 12 -5.936 -3.540 5.513 77 2HG2 ILE 12 HG23 ILE 12 -6.916 -2.216 4.883 78 3HG2 ILE 12 HG22 ILE 12 -7.035 -2.671 6.581 79 1HD1 ILE 12 HD13 ILE 12 -9.812 -2.374 4.963 80 2HD1 ILE 12 HD12 ILE 12 -9.456 -1.840 3.321 81 3HD1 ILE 12 HD11 ILE 12 -10.618 -3.138 3.593 82 HA PRO 13 HA PRO 13 -6.134 -7.274 8.750 83 1HB PRO 13 HB2 PRO 13 -3.619 -8.298 8.356 84 2HB PRO 13 HB1 PRO 13 -5.110 -9.152 7.929 85 1HG PRO 13 HG2 PRO 13 -3.107 -7.903 6.147 86 2HG PRO 13 HG1 PRO 13 -4.335 -9.119 5.765 87 1HD PRO 13 HD2 PRO 13 -4.416 -6.297 5.235 88 2HD PRO 13 HD1 PRO 13 -5.682 -7.497 4.870 89 H HIS 14 HN HIS 14 -4.266 -7.031 10.362 90 HA HIS 14 HA HIS 14 -3.580 -4.261 10.614 91 1HB HIS 14 HB2 HIS 14 -2.482 -6.623 12.187 92 2HB HIS 14 HB1 HIS 14 -2.623 -4.959 12.708 93 HD1 HIS 14 HD1 HIS 14 -4.953 -4.116 13.505 94 HD2 HIS 14 HD2 HIS 14 -4.966 -8.069 12.182 95 HE1 HIS 14 HE1 HIS 14 -7.181 -5.111 14.221 96 H ASN 15 HN ASN 15 -1.471 -3.300 10.264 97 HA ASN 15 HA ASN 15 0.645 -3.062 9.307 98 1HB ASN 15 HB2 ASN 15 0.828 -5.935 10.272 99 2HB ASN 15 HB1 ASN 15 2.198 -5.041 9.610 100 1HD2 ASN 15 HD22 ASN 15 2.523 -2.908 12.467 101 2HD2 ASN 15 HD21 ASN 15 2.856 -3.031 10.807 102 HA PRO 16 HA PRO 16 -0.984 -5.370 5.534 103 1HB PRO 16 HB2 PRO 16 -2.070 -3.223 4.222 104 2HB PRO 16 HB1 PRO 16 -2.981 -4.232 5.358 105 1HG PRO 16 HG2 PRO 16 -1.882 -1.483 5.748 106 2HG PRO 16 HG1 PRO 16 -3.294 -2.243 6.499 107 1HD PRO 16 HD2 PRO 16 -0.772 -1.908 7.726 108 2HD PRO 16 HD1 PRO 16 -2.074 -2.984 8.274 109 H LEU 17 HN LEU 17 -0.034 -5.358 3.483 110 HA LEU 17 HA LEU 17 1.787 -5.087 2.027 111 1HB LEU 17 HB2 LEU 17 0.433 -2.429 2.306 112 2HB LEU 17 HB1 LEU 17 1.870 -2.561 1.291 113 HG LEU 17 HG LEU 17 0.684 -4.621 0.251 114 1HD1 LEU 17 HD13 LEU 17 -1.357 -3.576 2.087 115 2HD1 LEU 17 HD12 LEU 17 -1.945 -3.762 0.436 116 3HD1 LEU 17 HD11 LEU 17 -1.261 -5.143 1.289 117 1HD2 LEU 17 HD21 LEU 17 0.938 -2.075 -0.555 118 2HD2 LEU 17 HD23 LEU 17 0.007 -3.254 -1.478 119 3HD2 LEU 17 HD22 LEU 17 -0.818 -2.126 -0.403 120 H ASP 18 HN ASP 18 2.763 -5.227 4.662 121 HA ASP 18 HA ASP 18 4.551 -3.067 5.331 122 1HB ASP 18 HB2 ASP 18 5.701 -4.754 6.774 123 2HB ASP 18 HB1 ASP 18 3.952 -4.739 7.012 124 H SER 19 HN SER 19 4.798 -5.857 3.233 125 HA SER 19 HA SER 19 7.639 -5.773 2.782 126 1HB SER 19 HB2 SER 19 5.714 -7.541 2.106 127 2HB SER 19 HB1 SER 19 5.832 -6.665 0.582 128 HG SER 19 HG SER 19 7.300 -8.478 0.816 129 H CYS 20 HN CYS 20 4.927 -3.951 1.566 130 HA CYS 20 HA CYS 20 6.268 -2.854 -0.759 131 1HB CYS 20 HB2 CYS 20 3.844 -1.784 0.694 132 2HB CYS 20 HB1 CYS 20 4.312 -1.466 -0.978 133 H ARG 21 HN ARG 21 5.707 -1.823 2.579 134 HA ARG 21 HA ARG 21 6.755 0.820 2.329 135 1HB ARG 21 HB2 ARG 21 5.968 0.857 4.448 136 2HB ARG 21 HB1 ARG 21 5.782 -0.888 4.432 137 1HG ARG 21 HG2 ARG 21 8.033 -1.198 5.278 138 2HG ARG 21 HG1 ARG 21 8.394 0.516 5.084 139 1HD ARG 21 HD2 ARG 21 6.751 1.098 6.788 140 2HD ARG 21 HD1 ARG 21 6.255 -0.590 6.926 141 HE ARG 21 HE ARG 21 8.920 0.462 7.779 142 1HH1 ARG 21 HH21 ARG 21 7.341 -2.425 7.121 143 2HH1 ARG 21 HH22 ARG 21 7.625 -3.141 8.672 144 1HH2 ARG 21 HH11 ARG 21 8.904 -0.240 10.077 145 2HH2 ARG 21 HH12 ARG 21 8.509 -1.905 10.343 146 H TRP 22 HN TRP 22 8.297 -2.244 3.321 147 HA TRP 22 HA TRP 22 10.935 -1.094 3.483 148 1HB TRP 22 HB2 TRP 22 9.972 -3.937 3.546 149 2HB TRP 22 HB1 TRP 22 11.679 -3.577 3.380 150 HD1 TRP 22 HD1 TRP 22 9.294 -4.130 6.001 151 HE1 TRP 22 HE1 TRP 22 10.079 -3.028 8.222 152 HE3 TRP 22 HE3 TRP 22 12.891 -1.209 4.156 153 HZ2 TRP 22 HZ2 TRP 22 12.074 -1.072 9.049 154 HZ3 TRP 22 HZ3 TRP 22 14.264 0.294 5.611 155 HH2 TRP 22 HH2 TRP 22 13.851 0.354 8.062 156 H TYR 23 HN TYR 23 9.085 -2.487 0.884 157 HA TYR 23 HA TYR 23 11.299 -3.000 -0.885 158 1HB TYR 23 HB2 TYR 23 9.100 -4.035 -1.266 159 2HB TYR 23 HB1 TYR 23 8.392 -2.451 -1.566 160 HD1 TYR 23 HD1 TYR 23 11.795 -3.488 -2.729 161 HD2 TYR 23 HD2 TYR 23 7.687 -2.851 -3.831 162 HE1 TYR 23 HE1 TYR 23 12.408 -3.641 -5.119 163 HE2 TYR 23 HE2 TYR 23 8.311 -3.005 -6.222 164 HH TYR 23 HH TYR 23 10.306 -2.706 -7.624 165 H VAL 24 HN VAL 24 9.370 -0.148 -0.099 166 HA VAL 24 HA VAL 24 10.478 1.458 -2.279 167 HB VAL 24 HB VAL 24 9.164 2.378 0.298 168 1HG1 VAL 24 HG11 VAL 24 10.561 3.801 -1.826 169 2HG1 VAL 24 HG13 VAL 24 8.884 4.330 -1.715 170 3HG1 VAL 24 HG12 VAL 24 9.935 4.423 -0.304 171 1HG2 VAL 24 HG22 VAL 24 8.126 1.797 -2.478 172 2HG2 VAL 24 HG21 VAL 24 7.509 1.206 -0.938 173 3HG2 VAL 24 HG23 VAL 24 7.274 2.892 -1.390 174 H SER 25 HN SER 25 11.167 0.930 1.185 175 HA SER 25 HA SER 25 13.165 2.888 1.531 176 1HB SER 25 HB2 SER 25 13.684 0.222 2.753 177 2HB SER 25 HB1 SER 25 13.753 1.824 3.479 178 HG SER 25 HG SER 25 11.764 1.567 4.088 179 H THR 26 HN THR 26 13.384 -0.352 0.121 180 HA THR 26 HA THR 26 16.266 -0.297 -0.247 181 HB THR 26 HB THR 26 14.030 -2.118 -1.155 182 HG1 THR 26 HG1 THR 26 16.296 -2.549 0.482 183 1HG2 THR 26 HG22 THR 26 16.891 -2.128 -2.065 184 2HG2 THR 26 HG21 THR 26 16.088 -3.670 -1.768 185 3HG2 THR 26 HG23 THR 26 15.431 -2.549 -2.961 186 H ARG 27 HN ARG 27 13.548 -0.082 -2.565 187 HA ARG 27 HA ARG 27 15.121 0.322 -4.896 188 1HB ARG 27 HB2 ARG 27 12.296 1.212 -4.270 189 2HB ARG 27 HB1 ARG 27 13.022 1.268 -5.876 190 1HG ARG 27 HG2 ARG 27 12.890 -1.270 -4.239 191 2HG ARG 27 HG1 ARG 27 11.620 -0.800 -5.371 192 1HD ARG 27 HD2 ARG 27 12.951 -2.073 -6.776 193 2HD ARG 27 HD1 ARG 27 13.683 -0.487 -7.019 194 HE ARG 27 HE ARG 27 14.829 -2.255 -4.920 195 1HH1 ARG 27 HH11 ARG 27 15.519 0.314 -6.857 196 2HH1 ARG 27 HH12 ARG 27 16.994 -0.311 -7.517 197 1HH2 ARG 27 HH21 ARG 27 16.518 -3.503 -6.246 198 2HH2 ARG 27 HH22 ARG 27 17.560 -2.473 -7.170 199 H THR 28 HN THR 28 14.180 2.538 -2.395 200 HA THR 28 HA THR 28 14.936 4.876 -4.024 201 HB THR 28 HB THR 28 13.939 6.194 -2.178 202 HG1 THR 28 HG1 THR 28 12.893 4.970 -0.517 203 1HG2 THR 28 HG22 THR 28 12.247 3.855 -3.070 204 2HG2 THR 28 HG21 THR 28 11.633 5.378 -2.429 205 3HG2 THR 28 HG23 THR 28 12.493 5.352 -3.969 206 H CYS 29 HN CYS 29 15.701 3.876 -0.622 207 HA CYS 29 HA CYS 29 18.292 5.298 -0.915 208 1HB CYS 29 HB2 CYS 29 16.651 4.495 1.478 209 2HB CYS 29 HB1 CYS 29 18.337 4.994 1.637 210 H GLY 30 HN GLY 30 17.498 2.363 -1.677 211 1HA GLY 30 HA2 GLY 30 18.577 0.263 -1.697 212 2HA GLY 30 HA1 GLY 30 20.052 1.172 -1.366 213 H VAL 31 HN VAL 31 17.448 1.451 0.925 214 HA VAL 31 HA VAL 31 19.000 -0.175 2.887 215 HB VAL 31 HB VAL 31 16.920 1.985 3.377 216 1HG1 VAL 31 HG12 VAL 31 18.634 0.279 5.183 217 2HG1 VAL 31 HG11 VAL 31 18.035 1.851 5.714 218 3HG1 VAL 31 HG13 VAL 31 16.897 0.576 5.275 219 1HG2 VAL 31 HG23 VAL 31 19.553 2.295 2.512 220 2HG2 VAL 31 HG22 VAL 31 18.587 3.519 3.331 221 3HG2 VAL 31 HG21 VAL 31 19.670 2.486 4.261 222 H GLY 32 HN GLY 32 17.637 -1.401 4.482 223 1HA GLY 32 HA2 GLY 32 15.194 -2.147 4.856 224 2HA GLY 32 HA1 GLY 32 15.251 -2.504 3.125 225 HA PRO 33 HA PRO 33 16.934 -6.189 5.651 226 1HB PRO 33 HB2 PRO 33 15.064 -8.076 4.852 227 2HB PRO 33 HB1 PRO 33 14.955 -7.139 6.349 228 1HG PRO 33 HG2 PRO 33 13.489 -6.755 3.767 229 2HG PRO 33 HG1 PRO 33 12.941 -6.462 5.427 230 1HD PRO 33 HD2 PRO 33 13.729 -4.469 3.708 231 2HD PRO 33 HD1 PRO 33 13.796 -4.339 5.483 232 H ARG 34 HN ARG 34 17.615 -8.403 4.490 233 HA ARG 34 HA ARG 34 18.556 -7.622 1.801 234 1HB ARG 34 HB2 ARG 34 19.998 -9.678 2.025 235 2HB ARG 34 HB1 ARG 34 20.257 -8.478 3.290 236 1HG ARG 34 HG2 ARG 34 19.507 -9.869 4.920 237 2HG ARG 34 HG1 ARG 34 18.147 -10.421 3.944 238 1HD ARG 34 HD2 ARG 34 19.885 -12.199 4.518 239 2HD ARG 34 HD1 ARG 34 19.494 -12.039 2.807 240 HE ARG 34 HE ARG 34 21.645 -10.927 2.477 241 1HH1 ARG 34 HH11 ARG 34 21.269 -10.648 5.743 242 2HH1 ARG 34 HH12 ARG 34 22.815 -11.294 6.182 243 1HH2 ARG 34 HH21 ARG 34 23.552 -12.418 2.986 244 2HH2 ARG 34 HH22 ARG 34 24.107 -12.297 4.622 245 H LEU 35 HN LEU 35 15.941 -7.989 1.616 246 HA LEU 35 HA LEU 35 15.388 -10.750 0.662 247 1HB LEU 35 HB2 LEU 35 13.817 -8.685 1.872 248 2HB LEU 35 HB1 LEU 35 13.189 -8.930 0.244 249 HG LEU 35 HG LEU 35 13.533 -11.515 1.027 250 1HD1 LEU 35 HD13 LEU 35 14.109 -10.337 3.355 251 2HD1 LEU 35 HD12 LEU 35 12.352 -10.328 3.502 252 3HD1 LEU 35 HD11 LEU 35 13.212 -11.853 3.289 253 1HD2 LEU 35 HD22 LEU 35 11.491 -10.499 0.057 254 2HD2 LEU 35 HD21 LEU 35 11.101 -11.527 1.436 255 3HD2 LEU 35 HD23 LEU 35 11.117 -9.773 1.621 256 H ALA 36 HN ALA 36 15.531 -11.184 -1.511 257 HA ALA 36 HA ALA 36 16.655 -9.449 -3.385 258 1HB ALA 36 HB1 ALA 36 15.504 -12.071 -3.408 259 2HB ALA 36 HB3 ALA 36 14.927 -11.200 -4.829 260 3HB ALA 36 HB2 ALA 36 16.658 -11.370 -4.542 261 H THR 37 HN THR 37 15.765 -8.112 -5.099 262 HA THR 37 HA THR 37 13.452 -6.578 -4.424 263 HB THR 37 HB THR 37 14.910 -6.772 -7.074 264 HG1 THR 37 HG1 THR 37 16.356 -6.226 -5.512 265 1HG2 THR 37 HG21 THR 37 12.599 -5.296 -6.288 266 2HG2 THR 37 HG23 THR 37 13.939 -4.158 -6.427 267 3HG2 THR 37 HG22 THR 37 13.503 -5.178 -7.797 268 H GLN 38 HN GLN 38 13.871 -9.193 -6.841 269 HA GLN 38 HA GLN 38 11.281 -8.872 -8.041 270 1HB GLN 38 HB2 GLN 38 13.235 -10.234 -8.957 271 2HB GLN 38 HB1 GLN 38 12.791 -11.489 -7.799 272 1HG GLN 38 HG2 GLN 38 11.013 -12.153 -9.035 273 2HG GLN 38 HG1 GLN 38 10.489 -10.497 -9.329 274 1HE2 GLN 38 HE22 GLN 38 13.428 -11.831 -11.881 275 2HE2 GLN 38 HE21 GLN 38 13.578 -12.131 -10.216 276 H GLU 39 HN GLU 39 12.418 -10.940 -5.398 277 HA GLU 39 HA GLU 39 9.908 -12.237 -4.891 278 1HB GLU 39 HB2 GLU 39 12.288 -11.746 -3.077 279 2HB GLU 39 HB1 GLU 39 10.936 -12.808 -2.684 280 1HG GLU 39 HG2 GLU 39 12.197 -13.271 -5.329 281 2HG GLU 39 HG1 GLU 39 13.196 -13.665 -3.930 282 H MET 40 HN MET 40 11.265 -9.142 -3.936 283 HA MET 40 HA MET 40 9.485 -8.596 -1.730 284 1HB MET 40 HB2 MET 40 11.703 -7.407 -2.497 285 2HB MET 40 HB1 MET 40 10.623 -6.462 -3.514 286 1HG MET 40 HG2 MET 40 10.761 -5.216 -1.506 287 2HG MET 40 HG1 MET 40 9.227 -6.078 -1.389 288 1HE MET 40 HE3 MET 40 11.864 -4.824 0.377 289 2HE MET 40 HE2 MET 40 10.377 -4.970 1.311 290 3HE MET 40 HE1 MET 40 11.853 -5.733 1.894 291 H LYS 41 HN LYS 41 9.599 -7.333 -5.044 292 HA LYS 41 HA LYS 41 7.098 -6.033 -5.117 293 1HB LYS 41 HB2 LYS 41 8.859 -5.873 -6.884 294 2HB LYS 41 HB1 LYS 41 8.427 -7.497 -7.415 295 1HG LYS 41 HG2 LYS 41 5.983 -6.100 -7.273 296 2HG LYS 41 HG1 LYS 41 7.117 -4.967 -8.004 297 1HD LYS 41 HD2 LYS 41 7.300 -7.730 -9.042 298 2HD LYS 41 HD1 LYS 41 5.777 -6.913 -9.389 299 1HE LYS 41 HE2 LYS 41 6.868 -5.136 -10.532 300 2HE LYS 41 HE1 LYS 41 8.446 -5.590 -9.891 301 1HZ LYS 41 HZ2 LYS 41 8.000 -7.796 -11.102 302 2HZ LYS 41 HZ1 LYS 41 6.850 -6.910 -11.986 303 3HZ LYS 41 HZ3 LYS 41 8.482 -6.449 -12.019 304 H ALA 42 HN ALA 42 7.897 -9.435 -5.493 305 HA ALA 42 HA ALA 42 5.347 -10.319 -6.506 306 1HB ALA 42 HB1 ALA 42 7.785 -11.504 -6.167 307 2HB ALA 42 HB3 ALA 42 6.875 -12.217 -4.835 308 3HB ALA 42 HB2 ALA 42 6.295 -12.389 -6.492 309 H ARG 43 HN ARG 43 6.745 -10.024 -3.263 310 HA ARG 43 HA ARG 43 4.582 -11.213 -1.810 311 1HB ARG 43 HB2 ARG 43 7.011 -9.693 -1.198 312 2HB ARG 43 HB1 ARG 43 5.687 -9.298 -0.103 313 1HG ARG 43 HG2 ARG 43 6.946 -11.180 0.808 314 2HG ARG 43 HG1 ARG 43 5.348 -11.737 0.308 315 1HD ARG 43 HD2 ARG 43 6.231 -12.657 -1.740 316 2HD ARG 43 HD1 ARG 43 7.808 -11.929 -1.443 317 HE ARG 43 HE ARG 43 7.440 -13.528 0.768 318 1HH1 ARG 43 HH21 ARG 43 8.573 -13.822 -2.345 319 2HH1 ARG 43 HH22 ARG 43 8.447 -15.547 -2.433 320 1HH2 ARG 43 HH11 ARG 43 6.686 -15.837 0.541 321 2HH2 ARG 43 HH12 ARG 43 7.380 -16.688 -0.800 322 H CYS 44 HN CYS 44 5.202 -7.900 -2.914 323 HA CYS 44 HA CYS 44 2.964 -6.725 -1.505 324 1HB CYS 44 HB2 CYS 44 4.710 -5.799 -3.754 325 2HB CYS 44 HB1 CYS 44 3.239 -4.921 -3.310 326 H CYS 45 HN CYS 45 3.380 -8.178 -4.733 327 HA CYS 45 HA CYS 45 0.796 -7.269 -5.728 328 1HB CYS 45 HB2 CYS 45 2.784 -9.344 -6.653 329 2HB CYS 45 HB1 CYS 45 1.202 -9.211 -7.405 330 H ARG 46 HN ARG 46 1.958 -10.000 -3.870 331 HA ARG 46 HA ARG 46 -0.451 -11.599 -4.206 332 1HB ARG 46 HB2 ARG 46 1.973 -12.337 -3.557 333 2HB ARG 46 HB1 ARG 46 1.487 -11.934 -1.926 334 1HG ARG 46 HG2 ARG 46 -0.468 -13.424 -2.118 335 2HG ARG 46 HG1 ARG 46 0.038 -13.869 -3.749 336 1HD ARG 46 HD2 ARG 46 1.792 -14.238 -1.307 337 2HD ARG 46 HD1 ARG 46 0.741 -15.502 -1.947 338 HE ARG 46 HE ARG 46 2.373 -14.518 -4.072 339 1HH1 ARG 46 HH21 ARG 46 1.972 -17.417 -3.222 340 2HH1 ARG 46 HH22 ARG 46 3.584 -17.860 -2.768 341 1HH2 ARG 46 HH11 ARG 46 4.716 -14.589 -2.580 342 2HH2 ARG 46 HH12 ARG 46 5.136 -16.260 -2.405 343 H GLN 47 HN GLN 47 0.786 -9.271 -1.824 344 HA GLN 47 HA GLN 47 -1.408 -9.793 0.059 345 1HB GLN 47 HB2 GLN 47 0.681 -7.595 -0.073 346 2HB GLN 47 HB1 GLN 47 -0.528 -7.714 1.206 347 1HG GLN 47 HG2 GLN 47 0.507 -10.283 1.106 348 2HG GLN 47 HG1 GLN 47 1.924 -9.278 0.797 349 1HE2 GLN 47 HE22 GLN 47 2.168 -8.215 4.141 350 2HE2 GLN 47 HE21 GLN 47 2.883 -8.305 2.605 351 H LEU 48 HN LEU 48 -0.637 -7.329 -2.339 352 HA LEU 48 HA LEU 48 -2.884 -5.647 -1.872 353 1HB LEU 48 HB2 LEU 48 -0.915 -4.839 -3.105 354 2HB LEU 48 HB1 LEU 48 -1.203 -6.010 -4.385 355 HG LEU 48 HG LEU 48 -3.536 -4.314 -3.750 356 1HD1 LEU 48 HD12 LEU 48 -0.887 -3.140 -4.373 357 2HD1 LEU 48 HD11 LEU 48 -2.219 -2.569 -5.378 358 3HD1 LEU 48 HD13 LEU 48 -2.301 -2.399 -3.624 359 1HD2 LEU 48 HD22 LEU 48 -2.110 -5.421 -6.150 360 2HD2 LEU 48 HD21 LEU 48 -3.801 -5.595 -5.680 361 3HD2 LEU 48 HD23 LEU 48 -3.229 -4.076 -6.369 362 H GLU 49 HN GLU 49 -2.333 -8.355 -4.168 363 HA GLU 49 HA GLU 49 -5.008 -8.170 -5.296 364 1HB GLU 49 HB2 GLU 49 -2.762 -9.522 -6.030 365 2HB GLU 49 HB1 GLU 49 -3.631 -10.823 -5.219 366 1HG GLU 49 HG2 GLU 49 -5.468 -9.341 -6.884 367 2HG GLU 49 HG1 GLU 49 -4.064 -9.809 -7.839 368 H ALA 50 HN ALA 50 -3.545 -9.682 -2.454 369 HA ALA 50 HA ALA 50 -5.499 -11.593 -1.742 370 1HB ALA 50 HB2 ALA 50 -3.305 -10.222 -0.450 371 2HB ALA 50 HB1 ALA 50 -4.667 -10.355 0.661 372 3HB ALA 50 HB3 ALA 50 -3.990 -11.802 -0.083 373 H ILE 51 HN ILE 51 -5.303 -8.205 -0.516 374 HA ILE 51 HA ILE 51 -7.908 -8.149 0.674 375 HB ILE 51 HB ILE 51 -6.407 -5.829 -0.585 376 1HG1 ILE 51 HG12 ILE 51 -6.175 -5.938 2.283 377 2HG1 ILE 51 HG11 ILE 51 -5.695 -7.506 1.637 378 1HG2 ILE 51 HG23 ILE 51 -8.872 -5.571 0.076 379 2HG2 ILE 51 HG22 ILE 51 -8.338 -5.788 1.742 380 3HG2 ILE 51 HG21 ILE 51 -7.745 -4.423 0.797 381 1HD1 ILE 51 HD11 ILE 51 -4.441 -5.835 -0.115 382 2HD1 ILE 51 HD13 ILE 51 -4.384 -4.869 1.359 383 3HD1 ILE 51 HD12 ILE 51 -3.681 -6.485 1.336 384 HA PRO 52 HA PRO 52 -9.834 -8.776 -3.391 385 1HB PRO 52 HB2 PRO 52 -12.462 -8.589 -2.489 386 2HB PRO 52 HB1 PRO 52 -11.485 -10.068 -2.539 387 1HG PRO 52 HG2 PRO 52 -12.046 -8.255 -0.199 388 2HG PRO 52 HG1 PRO 52 -11.906 -10.024 -0.238 389 1HD PRO 52 HD2 PRO 52 -9.867 -8.452 0.671 390 2HD PRO 52 HD1 PRO 52 -9.559 -9.978 -0.192 391 H ALA 53 HN ALA 53 -10.636 -7.522 -4.959 392 HA ALA 53 HA ALA 53 -10.075 -5.025 -5.498 393 1HB ALA 53 HB1 ALA 53 -11.687 -6.672 -6.735 394 2HB ALA 53 HB3 ALA 53 -12.937 -5.620 -6.068 395 3HB ALA 53 HB2 ALA 53 -11.689 -4.950 -7.120 396 H TYR 54 HN TYR 54 -13.026 -5.617 -3.537 397 HA TYR 54 HA TYR 54 -13.720 -2.849 -3.231 398 1HB TYR 54 HB2 TYR 54 -14.380 -5.392 -1.795 399 2HB TYR 54 HB1 TYR 54 -14.739 -3.868 -0.981 400 HD1 TYR 54 HD2 TYR 54 -15.971 -2.055 -2.431 401 HD2 TYR 54 HD1 TYR 54 -15.914 -6.253 -3.344 402 HE1 TYR 54 HE2 TYR 54 -17.990 -1.777 -3.843 403 HE2 TYR 54 HE1 TYR 54 -17.933 -5.972 -4.756 404 HH TYR 54 HH TYR 54 -19.851 -3.179 -4.685 405 H CYS 55 HN CYS 55 -12.970 -1.309 -1.769 406 HA CYS 55 HA CYS 55 -11.547 -0.290 -0.187 407 1HB CYS 55 HB2 CYS 55 -11.799 -3.099 0.904 408 2HB CYS 55 HB1 CYS 55 -10.714 -1.939 1.660 409 H ARG 56 HN ARG 56 -10.441 -1.795 -2.742 410 HA ARG 56 HA ARG 56 -8.014 -3.081 -2.383 411 1HB ARG 56 HB2 ARG 56 -9.051 -1.193 -4.453 412 2HB ARG 56 HB1 ARG 56 -7.322 -1.525 -4.478 413 1HG ARG 56 HG2 ARG 56 -8.743 -4.005 -4.118 414 2HG ARG 56 HG1 ARG 56 -9.429 -3.143 -5.493 415 1HD ARG 56 HD2 ARG 56 -7.531 -3.366 -6.750 416 2HD ARG 56 HD1 ARG 56 -6.468 -3.173 -5.359 417 HE ARG 56 HE ARG 56 -7.308 -5.697 -6.454 418 1HH1 ARG 56 HH21 ARG 56 -6.642 -4.033 -3.465 419 2HH1 ARG 56 HH22 ARG 56 -6.379 -5.491 -2.594 420 1HH2 ARG 56 HH11 ARG 56 -7.054 -7.543 -5.367 421 2HH2 ARG 56 HH12 ARG 56 -6.595 -7.538 -3.705 422 H CYS 57 HN CYS 57 -7.438 0.240 -3.500 423 HA CYS 57 HA CYS 57 -5.012 0.713 -2.360 424 1HB CYS 57 HB2 CYS 57 -7.276 2.689 -2.610 425 2HB CYS 57 HB1 CYS 57 -5.584 3.132 -2.359 426 H GLU 58 HN GLU 58 -7.926 0.576 -0.280 427 HA GLU 58 HA GLU 58 -7.393 2.146 1.876 428 1HB GLU 58 HB2 GLU 58 -8.192 -0.766 1.881 429 2HB GLU 58 HB1 GLU 58 -8.210 0.237 3.329 430 1HG GLU 58 HG2 GLU 58 -9.526 1.521 1.036 431 2HG GLU 58 HG1 GLU 58 -10.294 0.011 1.514 432 H ALA 59 HN ALA 59 -5.702 -1.007 1.372 433 HA ALA 59 HA ALA 59 -4.148 -1.180 3.648 434 1HB ALA 59 HB2 ALA 59 -3.840 -2.025 0.857 435 2HB ALA 59 HB1 ALA 59 -2.314 -1.880 1.728 436 3HB ALA 59 HB3 ALA 59 -3.582 -2.941 2.341 437 H VAL 60 HN VAL 60 -3.045 0.521 0.727 438 HA VAL 60 HA VAL 60 -0.660 1.635 1.656 439 HB VAL 60 HB VAL 60 -2.685 3.047 -0.106 440 1HG1 VAL 60 HG11 VAL 60 0.262 3.379 0.433 441 2HG1 VAL 60 HG13 VAL 60 -0.430 3.880 -1.111 442 3HG1 VAL 60 HG12 VAL 60 -0.998 4.612 0.390 443 1HG2 VAL 60 HG22 VAL 60 -0.785 0.779 -0.568 444 2HG2 VAL 60 HG21 VAL 60 -2.385 1.056 -1.256 445 3HG2 VAL 60 HG23 VAL 60 -0.997 1.961 -1.858 446 H ARG 61 HN ARG 61 -3.962 2.874 2.081 447 HA ARG 61 HA ARG 61 -3.315 5.315 3.412 448 1HB ARG 61 HB2 ARG 61 -5.745 3.553 3.856 449 2HB ARG 61 HB1 ARG 61 -5.607 5.255 4.283 450 1HG ARG 61 HG2 ARG 61 -4.922 5.419 1.686 451 2HG ARG 61 HG1 ARG 61 -5.965 3.999 1.610 452 1HD ARG 61 HD2 ARG 61 -7.233 6.111 1.257 453 2HD ARG 61 HD1 ARG 61 -7.782 5.237 2.687 454 HE ARG 61 HE ARG 61 -6.847 6.957 4.056 455 1HH1 ARG 61 HH21 ARG 61 -4.251 7.495 2.890 456 2HH1 ARG 61 HH22 ARG 61 -4.456 9.019 2.095 457 1HH2 ARG 61 HH11 ARG 61 -7.920 8.852 2.095 458 2HH2 ARG 61 HH12 ARG 61 -6.534 9.789 1.645 459 H ILE 62 HN ILE 62 -4.492 2.307 4.953 460 HA ILE 62 HA ILE 62 -3.993 2.887 7.619 461 HB ILE 62 HB ILE 62 -3.627 0.271 6.121 462 1HG1 ILE 62 HG12 ILE 62 -5.871 1.195 5.918 463 2HG1 ILE 62 HG11 ILE 62 -5.914 -0.204 6.986 464 1HG2 ILE 62 HG23 ILE 62 -3.437 0.911 9.027 465 2HG2 ILE 62 HG22 ILE 62 -4.285 -0.569 8.577 466 3HG2 ILE 62 HG21 ILE 62 -2.607 -0.331 8.090 467 1HD1 ILE 62 HD11 ILE 62 -5.403 2.019 8.657 468 2HD1 ILE 62 HD13 ILE 62 -6.669 2.533 7.545 469 3HD1 ILE 62 HD12 ILE 62 -6.899 1.097 8.541 470 H LEU 63 HN LEU 63 -1.576 2.170 5.162 471 HA LEU 63 HA LEU 63 0.487 1.688 7.151 472 1HB LEU 63 HB2 LEU 63 0.559 0.710 4.833 473 2HB LEU 63 HB1 LEU 63 0.835 2.327 4.206 474 HG LEU 63 HG LEU 63 2.903 0.844 4.528 475 1HD1 LEU 63 HD13 LEU 63 2.664 3.489 4.491 476 2HD1 LEU 63 HD12 LEU 63 3.243 3.322 6.148 477 3HD1 LEU 63 HD11 LEU 63 4.216 2.712 4.810 478 1HD2 LEU 63 HD22 LEU 63 2.247 -0.029 6.781 479 2HD2 LEU 63 HD21 LEU 63 3.850 0.709 6.774 480 3HD2 LEU 63 HD23 LEU 63 2.474 1.591 7.439 481 H MET 64 HN MET 64 -0.418 4.434 5.095 482 HA MET 64 HA MET 64 1.697 6.120 6.188 483 1HB MET 64 HB2 MET 64 0.592 6.366 3.883 484 2HB MET 64 HB1 MET 64 -0.783 7.088 4.726 485 1HG MET 64 HG2 MET 64 1.895 8.147 5.457 486 2HG MET 64 HG1 MET 64 1.326 8.534 3.833 487 1HE MET 64 HE3 MET 64 2.147 10.007 6.247 488 2HE MET 64 HE2 MET 64 1.117 11.437 6.277 489 3HE MET 64 HE1 MET 64 0.967 10.225 7.547 490 H ASP 65 HN ASP 65 -1.873 6.132 6.529 491 HA ASP 65 HA ASP 65 -1.752 8.062 8.701 492 1HB ASP 65 HB2 ASP 65 -4.093 6.672 7.335 493 2HB ASP 65 HB1 ASP 65 -4.291 7.593 8.826 494 H GLY 66 HN GLY 66 -1.721 4.578 8.491 495 1HA GLY 66 HA2 GLY 66 -1.330 3.090 10.308 496 2HA GLY 66 HA1 GLY 66 -1.556 4.436 11.423 497 H VAL 67 HN VAL 67 -2.743 1.790 11.595 498 HA VAL 67 HA VAL 67 -5.657 2.440 11.340 499 HB VAL 67 HB VAL 67 -5.162 0.562 9.939 500 1HG1 VAL 67 HG11 VAL 67 -3.649 -0.488 12.328 501 2HG1 VAL 67 HG13 VAL 67 -4.074 -1.504 10.950 502 3HG1 VAL 67 HG12 VAL 67 -3.010 -0.115 10.727 503 1HG2 VAL 67 HG23 VAL 67 -7.192 0.358 11.407 504 2HG2 VAL 67 HG22 VAL 67 -6.537 -1.187 10.865 505 3HG2 VAL 67 HG21 VAL 67 -6.224 -0.623 12.507 506 H VAL 68 HN VAL 68 -7.030 1.575 13.034 507 HA VAL 68 HA VAL 68 -5.613 1.303 15.642 508 HB VAL 68 HB VAL 68 -8.271 2.617 14.995 509 1HG1 VAL 68 HG11 VAL 68 -7.048 2.034 17.718 510 2HG1 VAL 68 HG13 VAL 68 -8.491 3.008 17.435 511 3HG1 VAL 68 HG12 VAL 68 -8.505 1.283 17.071 512 1HG2 VAL 68 HG21 VAL 68 -5.537 3.488 15.811 513 2HG2 VAL 68 HG23 VAL 68 -6.686 4.273 14.728 514 3HG2 VAL 68 HG22 VAL 68 -6.902 4.385 16.475 515 H THR 69 HN THR 69 -6.648 -0.064 17.174 516 HA THR 69 HA THR 69 -8.178 -2.298 15.953 517 HB THR 69 HB THR 69 -7.040 -3.699 17.741 518 HG1 THR 69 HG1 THR 69 -5.586 -2.783 18.966 519 1HG2 THR 69 HG21 THR 69 -5.387 -2.301 15.627 520 2HG2 THR 69 HG23 THR 69 -4.864 -3.746 16.492 521 3HG2 THR 69 HG22 THR 69 -6.283 -3.809 15.447 522 H SER 70 HN SER 70 -9.567 -3.447 17.423 523 HA SER 70 HA SER 70 -11.363 -1.776 18.844 524 1HB SER 70 HB2 SER 70 -11.994 -3.945 17.833 525 2HB SER 70 HB1 SER 70 -11.007 -4.774 19.034 526 HG SER 70 HG SER 70 -13.398 -4.432 19.419 527 H SER 71 HN SER 71 -8.659 -3.685 19.871 528 HA SER 71 HA SER 71 -9.118 -3.633 22.700 529 1HB SER 71 HB2 SER 71 -6.560 -3.996 22.752 530 2HB SER 71 HB1 SER 71 -7.539 -5.219 21.948 531 HG SER 71 HG SER 71 -6.818 -4.563 20.040 532 H GLY 72 HN GLY 72 -8.036 -1.199 20.488 533 1HA GLY 72 HA2 GLY 72 -7.989 1.161 21.162 534 2HA GLY 72 HA1 GLY 72 -7.504 0.627 22.774 535 H GLN 73 HN GLN 73 -5.897 -1.078 20.206 536 HA GLN 73 HA GLN 73 -3.408 0.485 20.795 537 1HB GLN 73 HB2 GLN 73 -3.644 -2.285 19.590 538 2HB GLN 73 HB1 GLN 73 -2.179 -1.508 20.186 539 1HG GLN 73 HG2 GLN 73 -4.175 -1.468 22.270 540 2HG GLN 73 HG1 GLN 73 -4.017 -3.112 21.654 541 1HE2 GLN 73 HE22 GLN 73 -0.697 -3.542 22.870 542 2HE2 GLN 73 HE21 GLN 73 -1.871 -4.139 21.800 543 H HIS 74 HN HIS 74 -1.940 0.920 18.953 544 HA HIS 74 HA HIS 74 -3.415 1.134 16.358 545 1HB HIS 74 HB2 HIS 74 -1.315 2.866 17.654 546 2HB HIS 74 HB1 HIS 74 -1.678 2.969 15.951 547 HD1 HIS 74 HD1 HIS 74 -2.837 5.223 15.898 548 HD2 HIS 74 HD2 HIS 74 -4.480 2.656 18.739 549 HE1 HIS 74 HE1 HIS 74 -4.925 6.360 16.769 550 H GLU 75 HN GLU 75 -2.136 0.764 14.450 551 HA GLU 75 HA GLU 75 0.532 -0.464 14.801 552 1HB GLU 75 HB2 GLU 75 -1.705 -1.781 13.240 553 2HB GLU 75 HB1 GLU 75 -0.044 -2.360 13.365 554 1HG GLU 75 HG2 GLU 75 -0.941 -1.977 16.025 555 2HG GLU 75 HG1 GLU 75 -2.250 -2.797 15.181 556 H GLY 76 HN GLY 76 1.198 -1.157 12.338 557 1HA GLY 76 HA2 GLY 76 1.987 -0.284 10.312 558 2HA GLY 76 HA1 GLY 76 0.386 0.444 10.148 559 H ARG 77 HN ARG 77 0.976 2.468 9.445 560 HA ARG 77 HA ARG 77 1.784 4.672 9.542 561 1HB ARG 77 HB2 ARG 77 0.505 4.146 11.881 562 2HB ARG 77 HB1 ARG 77 2.102 4.582 12.489 563 1HG ARG 77 HG2 ARG 77 1.983 6.644 11.014 564 2HG ARG 77 HG1 ARG 77 0.291 6.243 10.721 565 1HD ARG 77 HD2 ARG 77 0.491 7.856 12.572 566 2HD ARG 77 HD1 ARG 77 -0.145 6.317 13.152 567 HE ARG 77 HE ARG 77 2.703 6.308 13.421 568 1HH1 ARG 77 HH11 ARG 77 0.319 5.805 15.417 569 2HH1 ARG 77 HH12 ARG 77 0.758 6.919 16.668 570 1HH2 ARG 77 HH21 ARG 77 3.082 8.601 14.720 571 2HH2 ARG 77 HH22 ARG 77 2.323 8.501 16.273 572 H LEU 78 HN LEU 78 3.784 2.355 9.559 573 HA LEU 78 HA LEU 78 6.056 3.286 11.128 574 1HB LEU 78 HB2 LEU 78 5.965 1.256 8.876 575 2HB LEU 78 HB1 LEU 78 7.272 1.462 10.043 576 HG LEU 78 HG LEU 78 4.594 1.100 11.249 577 1HD1 LEU 78 HD11 LEU 78 5.804 -0.917 9.395 578 2HD1 LEU 78 HD13 LEU 78 5.007 -1.488 10.862 579 3HD1 LEU 78 HD12 LEU 78 4.106 -0.535 9.681 580 1HD2 LEU 78 HD22 LEU 78 7.435 0.457 11.759 581 2HD2 LEU 78 HD21 LEU 78 6.153 0.877 12.896 582 3HD2 LEU 78 HD23 LEU 78 6.299 -0.777 12.302 583 H LEU 79 HN LEU 79 4.769 4.024 7.984 584 HA LEU 79 HA LEU 79 7.040 4.706 6.483 585 1HB LEU 79 HB2 LEU 79 4.461 4.854 5.949 586 2HB LEU 79 HB1 LEU 79 4.656 6.526 6.464 587 HG LEU 79 HG LEU 79 6.690 6.560 4.856 588 1HD1 LEU 79 HD12 LEU 79 6.541 4.006 4.598 589 2HD1 LEU 79 HD11 LEU 79 5.152 4.306 3.554 590 3HD1 LEU 79 HD13 LEU 79 6.738 4.939 3.115 591 1HD2 LEU 79 HD22 LEU 79 4.032 7.272 4.572 592 2HD2 LEU 79 HD21 LEU 79 5.314 7.683 3.436 593 3HD2 LEU 79 HD23 LEU 79 4.305 6.265 3.150 594 H GLN 80 HN GLN 80 8.689 5.641 7.694 595 HA GLN 80 HA GLN 80 8.220 8.458 8.574 596 1HB GLN 80 HB2 GLN 80 9.879 6.377 10.039 597 2HB GLN 80 HB1 GLN 80 9.715 8.073 10.499 598 1HG GLN 80 HG2 GLN 80 7.456 7.822 11.100 599 2HG GLN 80 HG1 GLN 80 7.276 6.337 10.165 600 1HE2 GLN 80 HE22 GLN 80 8.376 6.098 14.023 601 2HE2 GLN 80 HE21 GLN 80 7.847 7.544 13.307 602 H ASP 81 HN ASP 81 10.439 9.546 8.901 603 HA ASP 81 HA ASP 81 11.841 9.448 6.404 604 1HB ASP 81 HB2 ASP 81 12.551 10.812 9.025 605 2HB ASP 81 HB1 ASP 81 13.394 11.064 7.492 606 H LEU 82 HN LEU 82 12.925 7.644 5.951 607 HA LEU 82 HA LEU 82 14.564 6.167 7.867 608 1HB LEU 82 HB2 LEU 82 13.910 5.961 4.929 609 2HB LEU 82 HB1 LEU 82 15.227 5.009 5.585 610 HG LEU 82 HG LEU 82 12.437 5.011 6.759 611 1HD1 LEU 82 HD11 LEU 82 13.462 3.699 4.362 612 2HD1 LEU 82 HD13 LEU 82 12.906 2.525 5.555 613 3HD1 LEU 82 HD12 LEU 82 11.811 3.778 4.975 614 1HD2 LEU 82 HD22 LEU 82 14.785 4.192 7.888 615 2HD2 LEU 82 HD21 LEU 82 13.220 3.469 8.257 616 3HD2 LEU 82 HD23 LEU 82 14.285 2.711 7.073 617 HA PRO 83 HA PRO 83 18.343 8.305 7.156 618 1HB PRO 83 HB2 PRO 83 20.210 6.377 6.495 619 2HB PRO 83 HB1 PRO 83 19.636 6.694 8.141 620 1HG PRO 83 HG2 PRO 83 18.888 4.472 6.278 621 2HG PRO 83 HG1 PRO 83 18.979 4.473 8.049 622 1HD PRO 83 HD2 PRO 83 16.615 4.632 6.617 623 2HD PRO 83 HD1 PRO 83 16.799 5.201 8.283 624 H GLY 84 HN GLY 84 17.928 9.572 5.414 625 1HA GLY 84 HA2 GLY 84 18.762 10.404 3.326 626 2HA GLY 84 HA1 GLY 84 19.089 8.751 2.796 627 H CYS 85 HN CYS 85 16.085 8.311 4.059 628 HA CYS 85 HA CYS 85 14.731 9.211 1.561 629 1HB CYS 85 HB2 CYS 85 14.587 6.610 3.021 630 2HB CYS 85 HB1 CYS 85 13.161 7.180 2.160 631 HA PRO 86 HA PRO 86 12.529 11.239 5.063 632 1HB PRO 86 HB2 PRO 86 11.660 13.406 3.588 633 2HB PRO 86 HB1 PRO 86 13.205 13.348 4.423 634 1HG PRO 86 HG2 PRO 86 12.634 13.083 1.519 635 2HG PRO 86 HG1 PRO 86 14.103 13.666 2.319 636 1HD PRO 86 HD2 PRO 86 13.779 11.135 1.162 637 2HD PRO 86 HD1 PRO 86 15.054 11.573 2.320 638 H ARG 87 HN ARG 87 10.172 11.813 5.311 639 HA ARG 87 HA ARG 87 8.309 10.015 4.315 640 1HB ARG 87 HB2 ARG 87 7.853 12.946 4.931 641 2HB ARG 87 HB1 ARG 87 6.603 11.717 4.843 642 1HG ARG 87 HG2 ARG 87 8.683 10.814 6.611 643 2HG ARG 87 HG1 ARG 87 8.189 12.438 7.080 644 1HD ARG 87 HD2 ARG 87 6.345 10.059 6.694 645 2HD ARG 87 HD1 ARG 87 6.798 10.782 8.237 646 HE ARG 87 HE ARG 87 5.441 12.517 6.247 647 1HH1 ARG 87 HH21 ARG 87 4.476 10.127 8.349 648 2HH1 ARG 87 HH22 ARG 87 3.478 11.136 9.342 649 1HH2 ARG 87 HH11 ARG 87 4.559 14.092 7.886 650 2HH2 ARG 87 HH12 ARG 87 3.525 13.380 9.079 651 H GLN 88 HN GLN 88 9.606 12.903 2.817 652 HA GLN 88 HA GLN 88 7.702 13.465 0.815 653 1HB GLN 88 HB2 GLN 88 9.766 14.799 1.317 654 2HB GLN 88 HB1 GLN 88 10.702 13.588 0.439 655 1HG GLN 88 HG2 GLN 88 9.737 14.137 -1.618 656 2HG GLN 88 HG1 GLN 88 8.310 14.853 -0.869 657 1HE2 GLN 88 HE22 GLN 88 11.770 17.091 -0.960 658 2HE2 GLN 88 HE21 GLN 88 11.886 15.398 -0.924 659 H VAL 89 HN VAL 89 10.566 11.309 0.413 660 HA VAL 89 HA VAL 89 9.968 10.458 -2.220 661 HB VAL 89 HB VAL 89 11.451 9.045 0.010 662 1HG1 VAL 89 HG13 VAL 89 10.802 7.593 -1.950 663 2HG1 VAL 89 HG12 VAL 89 11.706 8.696 -2.988 664 3HG1 VAL 89 HG11 VAL 89 12.543 7.775 -1.739 665 1HG2 VAL 89 HG21 VAL 89 12.038 11.452 -0.905 666 2HG2 VAL 89 HG23 VAL 89 13.292 10.263 -0.560 667 3HG2 VAL 89 HG22 VAL 89 12.747 10.513 -2.217 668 H GLN 90 HN GLN 90 9.081 9.116 0.924 669 HA GLN 90 HA GLN 90 7.765 6.761 -0.064 670 1HB GLN 90 HB2 GLN 90 7.415 8.340 2.500 671 2HB GLN 90 HB1 GLN 90 6.593 6.812 2.181 672 1HG GLN 90 HG2 GLN 90 8.476 5.999 3.239 673 2HG GLN 90 HG1 GLN 90 9.077 6.032 1.580 674 1HE2 GLN 90 HE22 GLN 90 11.583 8.366 2.349 675 2HE2 GLN 90 HE21 GLN 90 11.008 7.158 1.311 676 H ARG 91 HN ARG 91 6.815 10.110 0.196 677 HA ARG 91 HA ARG 91 3.959 9.613 -0.142 678 1HB ARG 91 HB2 ARG 91 5.545 11.818 0.616 679 2HB ARG 91 HB1 ARG 91 4.775 12.298 -0.896 680 1HG ARG 91 HG2 ARG 91 3.308 12.903 0.945 681 2HG ARG 91 HG1 ARG 91 2.575 11.567 0.058 682 1HD ARG 91 HD2 ARG 91 3.399 9.967 1.714 683 2HD ARG 91 HD1 ARG 91 4.240 11.256 2.573 684 HE ARG 91 HE ARG 91 1.263 11.036 2.388 685 1HH1 ARG 91 HH11 ARG 91 3.736 10.814 4.554 686 2HH1 ARG 91 HH12 ARG 91 3.171 12.039 5.640 687 1HH2 ARG 91 HH21 ARG 91 0.712 13.190 3.485 688 2HH2 ARG 91 HH22 ARG 91 1.459 13.383 5.035 689 H ALA 92 HN ALA 92 6.711 10.180 -2.244 690 HA ALA 92 HA ALA 92 5.116 10.782 -4.611 691 1HB ALA 92 HB1 ALA 92 7.903 10.746 -3.894 692 2HB ALA 92 HB3 ALA 92 7.681 9.816 -5.376 693 3HB ALA 92 HB2 ALA 92 7.138 11.491 -5.296 694 H PHE 93 HN PHE 93 6.932 7.919 -3.494 695 HA PHE 93 HA PHE 93 6.003 6.242 -5.680 696 1HB PHE 93 HB2 PHE 93 8.191 5.830 -4.659 697 2HB PHE 93 HB1 PHE 93 7.433 5.544 -3.095 698 HD1 PHE 93 HD1 PHE 93 5.922 3.562 -2.782 699 HD2 PHE 93 HD2 PHE 93 8.242 4.133 -6.348 700 HE1 PHE 93 HE1 PHE 93 5.588 1.181 -3.377 701 HE2 PHE 93 HE2 PHE 93 7.911 1.750 -6.945 702 HZ PHE 93 HZ PHE 93 6.586 0.272 -5.461 703 H ALA 94 HN ALA 94 4.863 6.977 -2.463 704 HA ALA 94 HA ALA 94 3.393 4.696 -1.806 705 1HB ALA 94 HB3 ALA 94 3.166 7.583 -1.154 706 2HB ALA 94 HB2 ALA 94 1.736 6.601 -0.839 707 3HB ALA 94 HB1 ALA 94 3.274 6.189 -0.081 708 HA PRO 95 HA PRO 95 -0.452 6.332 -4.190 709 1HB PRO 95 HB2 PRO 95 -0.055 8.325 -6.051 710 2HB PRO 95 HB1 PRO 95 -0.564 8.608 -4.377 711 1HG PRO 95 HG2 PRO 95 2.123 9.005 -5.619 712 2HG PRO 95 HG1 PRO 95 1.372 9.868 -4.266 713 1HD PRO 95 HD2 PRO 95 3.325 7.888 -4.007 714 2HD PRO 95 HD1 PRO 95 2.229 8.401 -2.709 715 H LYS 96 HN LYS 96 2.635 5.738 -5.532 716 HA LYS 96 HA LYS 96 1.631 4.889 -8.172 717 1HB LYS 96 HB2 LYS 96 4.411 4.616 -6.985 718 2HB LYS 96 HB1 LYS 96 3.966 4.399 -8.677 719 1HG LYS 96 HG2 LYS 96 3.164 6.990 -7.483 720 2HG LYS 96 HG1 LYS 96 4.900 6.743 -7.653 721 1HD LYS 96 HD2 LYS 96 4.773 7.154 -9.860 722 2HD LYS 96 HD1 LYS 96 3.622 5.834 -10.062 723 1HE LYS 96 HE2 LYS 96 2.623 8.418 -8.927 724 2HE LYS 96 HE1 LYS 96 2.946 8.334 -10.658 725 1HZ LYS 96 HZ3 LYS 96 1.607 6.135 -10.470 726 2HZ LYS 96 HZ2 LYS 96 0.985 6.845 -9.057 727 3HZ LYS 96 HZ1 LYS 96 0.788 7.617 -10.559 728 H LEU 97 HN LEU 97 1.049 3.571 -5.371 729 HA LEU 97 HA LEU 97 2.208 0.921 -5.513 730 1HB LEU 97 HB2 LEU 97 0.820 2.390 -3.600 731 2HB LEU 97 HB1 LEU 97 -0.319 1.119 -4.036 732 HG LEU 97 HG LEU 97 2.360 0.018 -3.767 733 1HD1 LEU 97 HD13 LEU 97 1.247 1.548 -1.399 734 2HD1 LEU 97 HD12 LEU 97 2.527 0.340 -1.287 735 3HD1 LEU 97 HD11 LEU 97 2.791 1.823 -2.203 736 1HD2 LEU 97 HD21 LEU 97 -0.069 -0.991 -3.578 737 2HD2 LEU 97 HD23 LEU 97 1.234 -1.648 -2.587 738 3HD2 LEU 97 HD22 LEU 97 0.078 -0.515 -1.886 739 H VAL 98 HN VAL 98 -1.318 1.723 -5.696 740 HA VAL 98 HA VAL 98 -1.904 -0.686 -7.175 741 HB VAL 98 HB VAL 98 -4.132 0.440 -7.546 742 1HG1 VAL 98 HG13 VAL 98 -3.265 -0.890 -5.470 743 2HG1 VAL 98 HG12 VAL 98 -3.416 0.674 -4.671 744 3HG1 VAL 98 HG11 VAL 98 -4.826 -0.076 -5.420 745 1HG2 VAL 98 HG23 VAL 98 -2.830 2.767 -7.269 746 2HG2 VAL 98 HG22 VAL 98 -4.542 2.603 -6.879 747 3HG2 VAL 98 HG21 VAL 98 -3.335 2.542 -5.594 748 H THR 99 HN THR 99 -0.255 1.877 -8.346 749 HA THR 99 HA THR 99 -1.648 2.026 -10.931 750 HB THR 99 HB THR 99 -0.189 3.850 -11.487 751 HG1 THR 99 HG1 THR 99 1.418 2.832 -9.397 752 1HG2 THR 99 HG22 THR 99 -1.841 4.235 -9.608 753 2HG2 THR 99 HG21 THR 99 -0.482 4.065 -8.496 754 3HG2 THR 99 HG23 THR 99 -0.492 5.369 -9.685 755 H GLU 100 HN GLU 100 -0.004 1.885 -12.938 756 HA GLU 100 HA GLU 100 0.898 -0.798 -13.085 757 1HB GLU 100 HB2 GLU 100 2.187 0.015 -15.104 758 2HB GLU 100 HB1 GLU 100 0.464 0.371 -15.106 759 1HG GLU 100 HG2 GLU 100 2.099 2.466 -13.845 760 2HG GLU 100 HG1 GLU 100 2.465 2.219 -15.552 761 H VAL 101 HN VAL 101 2.468 1.640 -11.240 762 HA VAL 101 HA VAL 101 5.188 0.711 -11.845 763 HB VAL 101 HB VAL 101 4.433 2.564 -9.582 764 1HG1 VAL 101 HG12 VAL 101 6.862 2.253 -11.372 765 2HG1 VAL 101 HG11 VAL 101 6.678 3.501 -10.140 766 3HG1 VAL 101 HG13 VAL 101 6.749 1.803 -9.671 767 1HG2 VAL 101 HG23 VAL 101 4.256 3.026 -12.512 768 2HG2 VAL 101 HG22 VAL 101 3.448 3.868 -11.190 769 3HG2 VAL 101 HG21 VAL 101 5.117 4.266 -11.599 770 H GLU 102 HN GLU 102 2.703 -0.542 -9.932 771 HA GLU 102 HA GLU 102 4.729 -1.938 -8.252 772 1HB GLU 102 HB2 GLU 102 2.855 0.013 -7.284 773 2HB GLU 102 HB1 GLU 102 2.477 -1.551 -6.567 774 1HG GLU 102 HG2 GLU 102 5.351 -0.783 -6.669 775 2HG GLU 102 HG1 GLU 102 4.330 0.099 -5.532 776 H CYS 103 HN CYS 103 1.171 -2.163 -7.824 777 HA CYS 103 HA CYS 103 1.168 -4.803 -9.220 778 1HB CYS 103 HB2 CYS 103 0.501 -4.376 -6.284 779 2HB CYS 103 HB1 CYS 103 0.125 -5.844 -7.183 780 H ASN 104 HN ASN 104 -0.108 -2.358 -10.023 781 HA ASN 104 HA ASN 104 -2.577 -1.635 -9.189 782 1HB ASN 104 HB2 ASN 104 -3.195 -1.144 -11.525 783 2HB ASN 104 HB1 ASN 104 -1.539 -0.675 -11.179 784 1HD2 ASN 104 HD22 ASN 104 -0.126 -3.211 -13.305 785 2HD2 ASN 104 HD21 ASN 104 0.201 -2.258 -11.941 786 H LEU 105 HN LEU 105 -2.225 -4.455 -11.423 787 HA LEU 105 HA LEU 105 -3.849 -6.084 -11.991 788 1HB LEU 105 HB2 LEU 105 -3.946 -5.991 -8.964 789 2HB LEU 105 HB1 LEU 105 -4.631 -7.297 -9.932 790 HG LEU 105 HG LEU 105 -1.861 -6.640 -10.682 791 1HD1 LEU 105 HD13 LEU 105 -2.278 -6.463 -7.977 792 2HD1 LEU 105 HD12 LEU 105 -1.904 -8.175 -8.161 793 3HD1 LEU 105 HD11 LEU 105 -0.760 -6.957 -8.722 794 1HD2 LEU 105 HD21 LEU 105 -3.545 -8.729 -11.048 795 2HD2 LEU 105 HD23 LEU 105 -1.790 -8.891 -11.116 796 3HD2 LEU 105 HD22 LEU 105 -2.659 -9.307 -9.638 797 H ALA 106 HN ALA 106 -4.946 -3.295 -11.903 798 HA ALA 106 HA ALA 106 -7.017 -2.241 -12.132 799 1HB ALA 106 HB2 ALA 106 -7.471 -4.755 -13.056 800 2HB ALA 106 HB1 ALA 106 -8.578 -4.732 -11.683 801 3HB ALA 106 HB3 ALA 106 -8.729 -3.523 -12.957 802 H THR 107 HN THR 107 -8.795 -1.530 -10.812 803 HA THR 107 HA THR 107 -8.713 -2.470 -7.961 804 HB THR 107 HB THR 107 -8.613 -0.240 -7.157 805 HG1 THR 107 HG1 THR 107 -9.732 1.240 -8.124 806 1HG2 THR 107 HG22 THR 107 -6.491 -0.850 -8.238 807 2HG2 THR 107 HG21 THR 107 -7.069 -0.166 -9.757 808 3HG2 THR 107 HG23 THR 107 -6.799 0.882 -8.366 809 H ILE 108 HN ILE 108 -10.803 -0.693 -7.109 810 HA ILE 108 HA ILE 108 -13.142 -2.123 -8.012 811 HB ILE 108 HB ILE 108 -12.779 -1.007 -5.738 812 1HG1 ILE 108 HG12 ILE 108 -14.970 -1.892 -6.542 813 2HG1 ILE 108 HG11 ILE 108 -15.136 -0.542 -5.425 814 1HG2 ILE 108 HG21 ILE 108 -13.492 1.476 -7.325 815 2HG2 ILE 108 HG23 ILE 108 -13.489 1.376 -5.564 816 3HG2 ILE 108 HG22 ILE 108 -11.984 1.174 -6.461 817 1HD1 ILE 108 HD12 ILE 108 -15.076 0.768 -7.837 818 2HD1 ILE 108 HD11 ILE 108 -15.883 -0.734 -8.277 819 3HD1 ILE 108 HD13 ILE 108 -16.551 0.286 -7.004 820 H HIS 109 HN HIS 109 -11.600 0.923 -8.817 821 HA HIS 109 HA HIS 109 -13.687 2.041 -10.451 822 1HB HIS 109 HB2 HIS 109 -10.706 2.520 -10.307 823 2HB HIS 109 HB1 HIS 109 -11.804 3.476 -11.303 824 HD1 HIS 109 HD1 HIS 109 -13.571 4.954 -10.053 825 HD2 HIS 109 HD2 HIS 109 -10.870 3.017 -7.542 826 HE1 HIS 109 HE1 HIS 109 -13.802 6.035 -7.778 827 H GLY 110 HN GLY 110 -11.862 -0.740 -11.084 828 1HA GLY 110 HA2 GLY 110 -11.497 -1.978 -13.029 829 2HA GLY 110 HA1 GLY 110 -12.767 -0.999 -13.763 830 H GLY 111 HN GLY 111 -9.867 0.426 -12.398 831 1HA GLY 111 HA2 GLY 111 -8.466 0.630 -14.959 832 2HA GLY 111 HA1 GLY 111 -9.180 2.151 -14.420 833 HA PRO 112 HA PRO 112 -5.055 1.367 -12.253 834 1HB PRO 112 HB2 PRO 112 -3.475 3.080 -13.732 835 2HB PRO 112 HB1 PRO 112 -3.635 1.347 -14.060 836 1HG PRO 112 HG2 PRO 112 -4.763 3.666 -15.540 837 2HG PRO 112 HG1 PRO 112 -4.436 2.024 -16.118 838 1HD PRO 112 HD2 PRO 112 -6.976 3.088 -15.408 839 2HD PRO 112 HD1 PRO 112 -6.599 1.386 -15.746 840 H PHE 113 HN PHE 113 -6.567 2.633 -10.756 841 HA PHE 113 HA PHE 113 -5.325 4.925 -9.706 842 1HB PHE 113 HB2 PHE 113 -6.973 6.725 -10.319 843 2HB PHE 113 HB1 PHE 113 -5.950 6.207 -11.651 844 HD1 PHE 113 HD2 PHE 113 -9.349 6.029 -10.199 845 HD2 PHE 113 HD1 PHE 113 -6.865 5.027 -13.554 846 HE1 PHE 113 HE2 PHE 113 -11.370 5.509 -11.540 847 HE2 PHE 113 HE1 PHE 113 -8.884 4.509 -14.897 848 HZ PHE 113 HZ PHE 113 -11.140 4.753 -13.893 849 H CYS 114 HN CYS 114 -6.674 6.026 -7.997 850 HA CYS 114 HA CYS 114 -9.279 5.024 -7.280 851 1HB CYS 114 HB2 CYS 114 -8.675 3.633 -5.368 852 2HB CYS 114 HB1 CYS 114 -7.884 2.994 -6.809 853 H LEU 115 HN LEU 115 -9.988 5.920 -5.149 854 HA LEU 115 HA LEU 115 -10.098 7.548 -3.494 855 1HB LEU 115 HB2 LEU 115 -7.341 6.726 -3.568 856 2HB LEU 115 HB1 LEU 115 -7.410 8.454 -3.245 857 HG LEU 115 HG LEU 115 -7.479 7.157 -1.150 858 1HD1 LEU 115 HD12 LEU 115 -9.741 8.880 -2.034 859 2HD1 LEU 115 HD11 LEU 115 -9.959 8.003 -0.521 860 3HD1 LEU 115 HD13 LEU 115 -8.600 9.109 -0.711 861 1HD2 LEU 115 HD21 LEU 115 -8.918 5.318 -2.532 862 2HD2 LEU 115 HD23 LEU 115 -8.911 5.412 -0.771 863 3HD2 LEU 115 HD22 LEU 115 -10.222 6.153 -1.689 864 H SER 116 HN SER 116 -7.278 9.013 -5.094 865 HA SER 116 HA SER 116 -8.152 11.624 -5.133 866 1HB SER 116 HB2 SER 116 -5.887 11.012 -5.750 867 2HB SER 116 HB1 SER 116 -6.458 10.205 -7.205 868 HG SER 116 HG SER 116 -5.748 12.285 -7.704 869 H LEU 117 HN LEU 117 -8.028 10.185 -8.385 870 HA LEU 117 HA LEU 117 -9.472 10.431 -10.204 871 1HB LEU 117 HB2 LEU 117 -11.203 9.747 -7.887 872 2HB LEU 117 HB1 LEU 117 -12.030 10.428 -9.288 873 HG LEU 117 HG LEU 117 -10.274 8.612 -10.438 874 1HD1 LEU 117 HD11 LEU 117 -11.205 7.628 -7.747 875 2HD1 LEU 117 HD13 LEU 117 -10.947 6.499 -9.076 876 3HD1 LEU 117 HD12 LEU 117 -9.610 7.483 -8.486 877 1HD2 LEU 117 HD23 LEU 117 -12.890 9.126 -10.611 878 2HD2 LEU 117 HD22 LEU 117 -12.213 7.611 -11.206 879 3HD2 LEU 117 HD21 LEU 117 -12.994 7.666 -9.626 880 H LEU 118 HN LEU 118 -11.893 12.084 -8.218 881 HA LEU 118 HA LEU 118 -11.926 14.403 -9.865 882 1HB LEU 118 HB2 LEU 118 -13.041 13.737 -7.159 883 2HB LEU 118 HB1 LEU 118 -13.103 15.388 -7.749 884 HG LEU 118 HG LEU 118 -15.163 14.117 -8.306 885 1HD1 LEU 118 HD12 LEU 118 -13.931 15.869 -9.874 886 2HD1 LEU 118 HD11 LEU 118 -13.771 14.467 -10.931 887 3HD1 LEU 118 HD13 LEU 118 -15.370 15.013 -10.426 888 1HD2 LEU 118 HD21 LEU 118 -13.906 11.904 -8.508 889 2HD2 LEU 118 HD23 LEU 118 -15.114 12.208 -9.756 890 3HD2 LEU 118 HD22 LEU 118 -13.402 12.437 -10.111 891 H GLY 119 HN GLY 119 -9.600 13.648 -7.446 892 1HA GLY 119 HA2 GLY 119 -9.019 16.099 -6.233 893 2HA GLY 119 HA1 GLY 119 -7.813 14.862 -6.579 894 H ALA 120 HN ALA 120 -8.691 18.007 -7.209 895 HA ALA 120 HA ALA 120 -7.229 18.089 -9.816 896 1HB ALA 120 HB2 ALA 120 -9.557 19.521 -8.747 897 2HB ALA 120 HB1 ALA 120 -8.341 20.601 -9.430 898 3HB ALA 120 HB3 ALA 120 -9.038 19.317 -10.420 899 H GLY 121 HN GLY 121 -5.387 17.747 -8.176 900 1HA GLY 121 HA2 GLY 121 -4.498 19.748 -6.376 901 2HA GLY 121 HA1 GLY 121 -3.438 18.601 -7.194 902 H GLU 122 HN GLU 122 -4.526 19.704 -9.859 903 HA GLU 122 HA GLU 122 -2.669 22.037 -9.975 904 1HB GLU 122 HB2 GLU 122 -3.828 20.471 -12.296 905 2HB GLU 122 HB1 GLU 122 -2.482 21.609 -12.338 906 1HG GLU 122 HG2 GLU 122 -1.363 20.022 -10.614 907 2HG GLU 122 HG1 GLU 122 -2.560 18.842 -11.151 No H/Q in entry = 907 Start of MODEL 6 Raw file had 930 H/Q atoms Start of MODEL 6 1 1H SER 1 HT1 SER 1 -15.186 3.713 17.429 2 2H SER 1 HT3 SER 1 -13.859 4.521 18.108 3 3H SER 1 HT2 SER 1 -15.283 5.378 17.751 4 HA SER 1 HA SER 1 -13.954 5.962 15.986 5 1HB SER 1 HB2 SER 1 -12.575 4.149 14.813 6 2HB SER 1 HB1 SER 1 -12.035 4.617 16.422 7 HG SER 1 HG SER 1 -12.756 2.752 17.222 8 H VAL 2 HN VAL 2 -15.769 6.342 14.763 9 HA VAL 2 HA VAL 2 -17.615 4.342 13.858 10 HB VAL 2 HB VAL 2 -17.075 7.064 12.631 11 1HG1 VAL 2 HG11 VAL 2 -18.561 5.194 11.499 12 2HG1 VAL 2 HG13 VAL 2 -19.731 5.675 12.727 13 3HG1 VAL 2 HG12 VAL 2 -19.134 6.861 11.566 14 1HG2 VAL 2 HG23 VAL 2 -18.614 6.167 15.055 15 2HG2 VAL 2 HG22 VAL 2 -17.556 7.566 14.868 16 3HG2 VAL 2 HG21 VAL 2 -19.161 7.571 14.139 17 H GLY 3 HN GLY 3 -15.524 6.307 11.702 18 1HA GLY 3 HA2 GLY 3 -13.961 5.445 10.084 19 2HA GLY 3 HA1 GLY 3 -14.677 3.845 10.280 20 H THR 4 HN THR 4 -15.365 3.361 8.234 21 HA THR 4 HA THR 4 -17.727 4.616 7.177 22 HB THR 4 HB THR 4 -16.173 6.386 6.512 23 HG1 THR 4 HG1 THR 4 -16.624 6.324 4.317 24 1HG2 THR 4 HG22 THR 4 -14.273 4.469 6.387 25 2HG2 THR 4 HG21 THR 4 -14.664 4.609 4.674 26 3HG2 THR 4 HG23 THR 4 -14.119 6.025 5.570 27 H SER 5 HN SER 5 -18.076 2.226 7.421 28 HA SER 5 HA SER 5 -18.377 0.103 6.488 29 1HB SER 5 HB2 SER 5 -18.591 1.867 4.389 30 2HB SER 5 HB1 SER 5 -17.311 0.796 3.825 31 HG SER 5 HG SER 5 -19.936 0.349 3.952 32 H CYS 6 HN CYS 6 -17.097 -1.679 5.275 33 HA CYS 6 HA CYS 6 -15.178 -3.022 5.196 34 1HB CYS 6 HB2 CYS 6 -13.963 -0.283 4.767 35 2HB CYS 6 HB1 CYS 6 -13.012 -1.765 4.713 36 H ILE 7 HN ILE 7 -14.952 -3.938 7.194 37 HA ILE 7 HA ILE 7 -13.870 -2.339 9.445 38 HB ILE 7 HB ILE 7 -14.413 -4.340 10.814 39 1HG1 ILE 7 HG12 ILE 7 -15.569 -5.478 8.251 40 2HG1 ILE 7 HG11 ILE 7 -14.024 -5.984 8.934 41 1HG2 ILE 7 HG23 ILE 7 -16.419 -2.959 9.089 42 2HG2 ILE 7 HG22 ILE 7 -16.976 -4.325 10.054 43 3HG2 ILE 7 HG21 ILE 7 -16.238 -2.931 10.843 44 1HD1 ILE 7 HD13 ILE 7 -16.689 -6.113 10.374 45 2HD1 ILE 7 HD12 ILE 7 -15.876 -7.488 9.626 46 3HD1 ILE 7 HD11 ILE 7 -15.140 -6.672 11.006 47 HA PRO 8 HA PRO 8 -9.838 -4.068 9.030 48 1HB PRO 8 HB2 PRO 8 -8.971 -3.956 11.640 49 2HB PRO 8 HB1 PRO 8 -9.108 -2.536 10.590 50 1HG PRO 8 HG2 PRO 8 -10.865 -3.377 12.845 51 2HG PRO 8 HG1 PRO 8 -10.570 -1.755 12.197 52 1HD PRO 8 HD2 PRO 8 -12.850 -3.357 11.694 53 2HD PRO 8 HD1 PRO 8 -12.390 -1.885 10.813 54 H GLY 9 HN GLY 9 -8.515 -5.998 9.620 55 1HA GLY 9 HA2 GLY 9 -8.162 -8.196 10.371 56 2HA GLY 9 HA1 GLY 9 -9.526 -8.001 11.463 57 H MET 10 HN MET 10 -10.540 -7.148 8.366 58 HA MET 10 HA MET 10 -11.403 -9.929 7.694 59 1HB MET 10 HB2 MET 10 -13.069 -7.439 7.981 60 2HB MET 10 HB1 MET 10 -13.581 -8.741 6.908 61 1HG MET 10 HG2 MET 10 -14.598 -9.383 8.902 62 2HG MET 10 HG1 MET 10 -13.074 -10.265 8.995 63 1HE MET 10 HE1 MET 10 -13.418 -10.670 11.239 64 2HE MET 10 HE3 MET 10 -13.129 -9.579 12.601 65 3HE MET 10 HE2 MET 10 -14.709 -9.621 11.821 66 H ALA 11 HN ALA 11 -9.976 -10.087 5.773 67 HA ALA 11 HA ALA 11 -9.613 -9.831 3.457 68 1HB ALA 11 HB3 ALA 11 -11.933 -8.395 3.621 69 2HB ALA 11 HB2 ALA 11 -10.786 -7.127 3.190 70 3HB ALA 11 HB1 ALA 11 -10.967 -8.543 2.155 71 H ILE 12 HN ILE 12 -9.564 -6.705 5.196 72 HA ILE 12 HA ILE 12 -6.814 -6.212 4.203 73 HB ILE 12 HB ILE 12 -8.736 -4.358 5.646 74 1HG1 ILE 12 HG12 ILE 12 -7.992 -3.924 2.801 75 2HG1 ILE 12 HG11 ILE 12 -9.077 -5.278 3.119 76 1HG2 ILE 12 HG21 ILE 12 -6.026 -3.969 4.366 77 2HG2 ILE 12 HG23 ILE 12 -7.123 -2.623 4.675 78 3HG2 ILE 12 HG22 ILE 12 -6.511 -3.589 6.018 79 1HD1 ILE 12 HD12 ILE 12 -10.264 -3.436 4.669 80 2HD1 ILE 12 HD11 ILE 12 -9.534 -2.355 3.483 81 3HD1 ILE 12 HD13 ILE 12 -10.655 -3.611 2.958 82 HA PRO 13 HA PRO 13 -6.169 -7.659 8.491 83 1HB PRO 13 HB2 PRO 13 -3.612 -8.603 8.149 84 2HB PRO 13 HB1 PRO 13 -5.073 -9.529 7.773 85 1HG PRO 13 HG2 PRO 13 -3.124 -8.297 5.920 86 2HG PRO 13 HG1 PRO 13 -4.303 -9.580 5.610 87 1HD PRO 13 HD2 PRO 13 -4.502 -6.806 4.915 88 2HD PRO 13 HD1 PRO 13 -5.729 -8.069 4.652 89 H HIS 14 HN HIS 14 -4.360 -7.265 10.121 90 HA HIS 14 HA HIS 14 -3.807 -4.461 10.265 91 1HB HIS 14 HB2 HIS 14 -2.718 -6.760 11.938 92 2HB HIS 14 HB1 HIS 14 -2.767 -5.070 12.386 93 HD1 HIS 14 HD1 HIS 14 -4.904 -4.195 13.456 94 HD2 HIS 14 HD2 HIS 14 -5.404 -7.938 11.696 95 HE1 HIS 14 HE1 HIS 14 -7.222 -4.999 14.120 96 H ASN 15 HN ASN 15 -1.727 -3.411 9.990 97 HA ASN 15 HA ASN 15 0.400 -3.086 9.091 98 1HB ASN 15 HB2 ASN 15 0.723 -5.015 10.917 99 2HB ASN 15 HB1 ASN 15 1.092 -5.974 9.485 100 1HD2 ASN 15 HD22 ASN 15 3.944 -3.606 10.919 101 2HD2 ASN 15 HD21 ASN 15 2.593 -4.130 11.804 102 HA PRO 16 HA PRO 16 -1.015 -5.335 5.215 103 1HB PRO 16 HB2 PRO 16 -2.187 -3.216 3.938 104 2HB PRO 16 HB1 PRO 16 -3.069 -4.299 5.029 105 1HG PRO 16 HG2 PRO 16 -2.148 -1.503 5.500 106 2HG PRO 16 HG1 PRO 16 -3.507 -2.374 6.228 107 1HD PRO 16 HD2 PRO 16 -0.986 -1.905 7.441 108 2HD PRO 16 HD1 PRO 16 -2.246 -3.018 8.009 109 H LEU 17 HN LEU 17 0.015 -5.189 3.191 110 HA LEU 17 HA LEU 17 1.763 -4.676 1.728 111 1HB LEU 17 HB2 LEU 17 0.502 -2.039 2.420 112 2HB LEU 17 HB1 LEU 17 1.908 -2.082 1.356 113 HG LEU 17 HG LEU 17 0.471 -4.044 0.213 114 1HD1 LEU 17 HD12 LEU 17 -1.456 -2.328 1.748 115 2HD1 LEU 17 HD11 LEU 17 -1.935 -2.966 0.174 116 3HD1 LEU 17 HD13 LEU 17 -1.487 -4.071 1.476 117 1HD2 LEU 17 HD21 LEU 17 1.299 -1.605 -0.540 118 2HD2 LEU 17 HD23 LEU 17 0.181 -2.551 -1.523 119 3HD2 LEU 17 HD22 LEU 17 -0.433 -1.280 -0.464 120 H ASP 18 HN ASP 18 2.704 -5.209 4.355 121 HA ASP 18 HA ASP 18 4.561 -3.211 5.292 122 1HB ASP 18 HB2 ASP 18 5.586 -5.034 6.598 123 2HB ASP 18 HB1 ASP 18 3.828 -5.106 6.717 124 H SER 19 HN SER 19 4.809 -5.918 3.074 125 HA SER 19 HA SER 19 7.618 -5.769 2.543 126 1HB SER 19 HB2 SER 19 5.704 -7.514 1.814 127 2HB SER 19 HB1 SER 19 5.767 -6.551 0.339 128 HG SER 19 HG SER 19 7.367 -8.469 0.967 129 H CYS 20 HN CYS 20 4.884 -3.887 1.465 130 HA CYS 20 HA CYS 20 6.155 -2.687 -0.835 131 1HB CYS 20 HB2 CYS 20 3.796 -1.737 0.788 132 2HB CYS 20 HB1 CYS 20 4.246 -1.168 -0.820 133 H ARG 21 HN ARG 21 5.678 -1.702 2.550 134 HA ARG 21 HA ARG 21 6.853 0.876 2.303 135 1HB ARG 21 HB2 ARG 21 6.592 1.047 4.578 136 2HB ARG 21 HB1 ARG 21 5.560 -0.348 4.317 137 1HG ARG 21 HG2 ARG 21 7.318 -1.857 5.044 138 2HG ARG 21 HG1 ARG 21 8.491 -0.549 5.098 139 1HD ARG 21 HD2 ARG 21 6.837 0.553 6.767 140 2HD ARG 21 HD1 ARG 21 6.178 -1.076 6.938 141 HE ARG 21 HE ARG 21 9.024 -0.364 7.533 142 1HH1 ARG 21 HH11 ARG 21 7.054 -3.030 7.174 143 2HH1 ARG 21 HH12 ARG 21 7.327 -3.677 8.758 144 1HH2 ARG 21 HH21 ARG 21 9.013 -0.875 9.909 145 2HH2 ARG 21 HH22 ARG 21 8.435 -2.458 10.305 146 H TRP 22 HN TRP 22 8.298 -2.257 3.255 147 HA TRP 22 HA TRP 22 10.958 -1.200 3.441 148 1HB TRP 22 HB2 TRP 22 9.941 -4.018 3.339 149 2HB TRP 22 HB1 TRP 22 11.655 -3.682 3.176 150 HD1 TRP 22 HD1 TRP 22 9.321 -4.386 5.790 151 HE1 TRP 22 HE1 TRP 22 10.140 -3.443 8.065 152 HE3 TRP 22 HE3 TRP 22 12.876 -1.337 4.089 153 HZ2 TRP 22 HZ2 TRP 22 12.137 -1.544 8.991 154 HZ3 TRP 22 HZ3 TRP 22 14.269 0.066 5.626 155 HH2 TRP 22 HH2 TRP 22 13.895 -0.049 8.080 156 H TYR 23 HN TYR 23 9.059 -2.355 0.756 157 HA TYR 23 HA TYR 23 11.249 -2.789 -1.073 158 1HB TYR 23 HB2 TYR 23 8.948 -3.647 -1.486 159 2HB TYR 23 HB1 TYR 23 8.392 -1.992 -1.760 160 HD1 TYR 23 HD1 TYR 23 9.964 -0.661 -3.577 161 HD2 TYR 23 HD2 TYR 23 9.497 -4.907 -3.297 162 HE1 TYR 23 HE1 TYR 23 10.735 -0.888 -5.912 163 HE2 TYR 23 HE2 TYR 23 10.285 -5.147 -5.632 164 HH TYR 23 HH TYR 23 11.711 -2.549 -7.370 165 H VAL 24 HN VAL 24 9.418 0.036 0.011 166 HA VAL 24 HA VAL 24 10.513 1.825 -2.006 167 HB VAL 24 HB VAL 24 9.485 2.555 0.745 168 1HG1 VAL 24 HG11 VAL 24 9.949 4.130 -1.801 169 2HG1 VAL 24 HG13 VAL 24 9.076 4.761 -0.403 170 3HG1 VAL 24 HG12 VAL 24 10.781 4.334 -0.260 171 1HG2 VAL 24 HG23 VAL 24 8.123 1.830 -1.798 172 2HG2 VAL 24 HG22 VAL 24 7.554 1.658 -0.140 173 3HG2 VAL 24 HG21 VAL 24 7.481 3.230 -0.939 174 H SER 25 HN SER 25 11.321 0.986 1.354 175 HA SER 25 HA SER 25 13.436 2.783 1.773 176 1HB SER 25 HB2 SER 25 13.705 -0.039 2.746 177 2HB SER 25 HB1 SER 25 14.107 1.464 3.569 178 HG SER 25 HG SER 25 11.772 1.877 3.518 179 H THR 26 HN THR 26 13.531 -0.405 0.190 180 HA THR 26 HA THR 26 16.396 -0.349 -0.261 181 HB THR 26 HB THR 26 14.146 -2.134 -1.218 182 HG1 THR 26 HG1 THR 26 16.384 -2.609 0.447 183 1HG2 THR 26 HG22 THR 26 16.926 -1.982 -2.222 184 2HG2 THR 26 HG21 THR 26 16.404 -3.591 -1.725 185 3HG2 THR 26 HG23 THR 26 15.500 -2.712 -2.959 186 H ARG 27 HN ARG 27 13.645 -0.095 -2.540 187 HA ARG 27 HA ARG 27 15.175 0.387 -4.871 188 1HB ARG 27 HB2 ARG 27 12.691 -0.163 -4.732 189 2HB ARG 27 HB1 ARG 27 12.427 1.541 -4.359 190 1HG ARG 27 HG2 ARG 27 12.183 1.526 -6.681 191 2HG ARG 27 HG1 ARG 27 13.884 1.953 -6.503 192 1HD ARG 27 HD2 ARG 27 13.515 -0.938 -6.511 193 2HD ARG 27 HD1 ARG 27 12.861 -0.197 -7.971 194 HE ARG 27 HE ARG 27 15.431 0.926 -7.483 195 1HH1 ARG 27 HH21 ARG 27 16.128 -1.882 -6.832 196 2HH1 ARG 27 HH22 ARG 27 16.494 -2.553 -8.386 197 1HH2 ARG 27 HH11 ARG 27 14.944 -0.003 -10.149 198 2HH2 ARG 27 HH12 ARG 27 15.824 -1.489 -10.263 199 H THR 28 HN THR 28 14.291 2.541 -2.275 200 HA THR 28 HA THR 28 15.066 4.910 -3.859 201 HB THR 28 HB THR 28 14.066 6.214 -2.046 202 HG1 THR 28 HG1 THR 28 13.159 5.081 -0.281 203 1HG2 THR 28 HG21 THR 28 12.701 4.261 -3.616 204 2HG2 THR 28 HG23 THR 28 11.916 4.361 -2.044 205 3HG2 THR 28 HG22 THR 28 12.100 5.810 -3.026 206 H CYS 29 HN CYS 29 15.846 3.817 -0.500 207 HA CYS 29 HA CYS 29 18.438 5.243 -0.744 208 1HB CYS 29 HB2 CYS 29 16.785 4.356 1.611 209 2HB CYS 29 HB1 CYS 29 18.479 4.811 1.798 210 H GLY 30 HN GLY 30 17.638 2.343 -1.619 211 1HA GLY 30 HA2 GLY 30 18.705 0.241 -1.724 212 2HA GLY 30 HA1 GLY 30 20.185 1.130 -1.370 213 H VAL 31 HN VAL 31 17.614 1.336 0.964 214 HA VAL 31 HA VAL 31 19.166 -0.398 2.836 215 HB VAL 31 HB VAL 31 17.097 1.718 3.505 216 1HG1 VAL 31 HG13 VAL 31 19.080 0.113 5.133 217 2HG1 VAL 31 HG12 VAL 31 18.280 1.556 5.752 218 3HG1 VAL 31 HG11 VAL 31 17.324 0.145 5.298 219 1HG2 VAL 31 HG22 VAL 31 19.914 1.951 2.736 220 2HG2 VAL 31 HG21 VAL 31 18.702 3.212 2.945 221 3HG2 VAL 31 HG23 VAL 31 19.605 2.621 4.337 222 H GLY 32 HN GLY 32 17.780 -1.637 4.426 223 1HA GLY 32 HA2 GLY 32 15.276 -2.293 4.743 224 2HA GLY 32 HA1 GLY 32 15.402 -2.697 3.027 225 HA PRO 33 HA PRO 33 16.883 -6.348 5.721 226 1HB PRO 33 HB2 PRO 33 15.029 -8.221 4.851 227 2HB PRO 33 HB1 PRO 33 14.850 -7.249 6.321 228 1HG PRO 33 HG2 PRO 33 13.550 -6.895 3.647 229 2HG PRO 33 HG1 PRO 33 12.906 -6.565 5.265 230 1HD PRO 33 HD2 PRO 33 13.821 -4.612 3.570 231 2HD PRO 33 HD1 PRO 33 13.799 -4.456 5.343 232 H ARG 34 HN ARG 34 17.579 -8.602 4.648 233 HA ARG 34 HA ARG 34 18.729 -7.907 2.021 234 1HB ARG 34 HB2 ARG 34 20.114 -9.949 2.396 235 2HB ARG 34 HB1 ARG 34 20.239 -8.794 3.723 236 1HG ARG 34 HG2 ARG 34 19.489 -10.334 5.184 237 2HG ARG 34 HG1 ARG 34 18.018 -10.557 4.240 238 1HD ARG 34 HD2 ARG 34 19.179 -12.171 2.788 239 2HD ARG 34 HD1 ARG 34 20.671 -11.929 3.698 240 HE ARG 34 HE ARG 34 18.236 -13.302 4.724 241 1HH1 ARG 34 HH11 ARG 34 19.232 -12.297 7.126 242 2HH1 ARG 34 HH12 ARG 34 20.571 -13.307 7.556 243 1HH2 ARG 34 HH21 ARG 34 20.954 -14.610 4.365 244 2HH2 ARG 34 HH22 ARG 34 21.546 -14.617 5.993 245 H LEU 35 HN LEU 35 16.742 -8.078 0.855 246 HA LEU 35 HA LEU 35 16.132 -10.859 -0.001 247 1HB LEU 35 HB2 LEU 35 14.386 -9.358 1.604 248 2HB LEU 35 HB1 LEU 35 13.751 -9.156 -0.029 249 HG LEU 35 HG LEU 35 14.109 -11.749 -0.200 250 1HD1 LEU 35 HD12 LEU 35 15.210 -11.504 2.226 251 2HD1 LEU 35 HD11 LEU 35 13.533 -11.708 2.729 252 3HD1 LEU 35 HD13 LEU 35 14.319 -12.951 1.757 253 1HD2 LEU 35 HD22 LEU 35 11.934 -10.279 0.032 254 2HD2 LEU 35 HD21 LEU 35 11.837 -12.024 0.272 255 3HD2 LEU 35 HD23 LEU 35 11.893 -10.944 1.665 256 H ALA 36 HN ALA 36 15.960 -10.993 -2.220 257 HA ALA 36 HA ALA 36 16.929 -8.967 -3.909 258 1HB ALA 36 HB1 ALA 36 16.618 -11.452 -4.427 259 2HB ALA 36 HB3 ALA 36 14.942 -11.059 -4.810 260 3HB ALA 36 HB2 ALA 36 16.251 -10.335 -5.742 261 H THR 37 HN THR 37 15.719 -7.771 -5.647 262 HA THR 37 HA THR 37 13.484 -6.296 -4.513 263 HB THR 37 HB THR 37 13.533 -5.454 -7.102 264 HG1 THR 37 HG1 THR 37 16.228 -6.095 -6.558 265 1HG2 THR 37 HG23 THR 37 14.878 -4.676 -4.591 266 2HG2 THR 37 HG22 THR 37 15.572 -3.978 -6.054 267 3HG2 THR 37 HG21 THR 37 13.869 -3.718 -5.676 268 H GLN 38 HN GLN 38 13.746 -8.349 -7.454 269 HA GLN 38 HA GLN 38 11.059 -8.255 -8.240 270 1HB GLN 38 HB2 GLN 38 12.931 -9.400 -9.477 271 2HB GLN 38 HB1 GLN 38 12.779 -10.747 -8.351 272 1HG GLN 38 HG2 GLN 38 11.074 -11.589 -9.556 273 2HG GLN 38 HG1 GLN 38 10.155 -10.104 -9.319 274 1HE2 GLN 38 HE22 GLN 38 11.272 -10.878 -12.995 275 2HE2 GLN 38 HE21 GLN 38 10.931 -12.009 -11.776 276 H GLU 39 HN GLU 39 12.487 -10.265 -5.696 277 HA GLU 39 HA GLU 39 10.128 -11.868 -5.212 278 1HB GLU 39 HB2 GLU 39 12.430 -11.222 -3.346 279 2HB GLU 39 HB1 GLU 39 11.276 -12.542 -3.151 280 1HG GLU 39 HG2 GLU 39 12.040 -13.580 -5.215 281 2HG GLU 39 HG1 GLU 39 13.108 -12.215 -5.545 282 H MET 40 HN MET 40 11.350 -8.814 -3.904 283 HA MET 40 HA MET 40 9.491 -8.535 -1.737 284 1HB MET 40 HB2 MET 40 11.677 -7.269 -2.295 285 2HB MET 40 HB1 MET 40 10.681 -6.274 -3.322 286 1HG MET 40 HG2 MET 40 10.772 -5.173 -1.181 287 2HG MET 40 HG1 MET 40 9.166 -5.890 -1.318 288 1HE MET 40 HE2 MET 40 11.183 -4.815 0.766 289 2HE MET 40 HE1 MET 40 11.069 -5.793 2.226 290 3HE MET 40 HE3 MET 40 12.462 -5.964 1.149 291 H LYS 41 HN LYS 41 9.594 -7.100 -4.973 292 HA LYS 41 HA LYS 41 7.070 -5.819 -5.006 293 1HB LYS 41 HB2 LYS 41 8.755 -5.496 -6.782 294 2HB LYS 41 HB1 LYS 41 8.524 -7.158 -7.315 295 1HG LYS 41 HG2 LYS 41 5.937 -6.083 -7.279 296 2HG LYS 41 HG1 LYS 41 6.938 -4.780 -7.917 297 1HD LYS 41 HD2 LYS 41 6.228 -6.124 -9.790 298 2HD LYS 41 HD1 LYS 41 7.939 -6.455 -9.524 299 1HE LYS 41 HE2 LYS 41 6.999 -8.372 -7.962 300 2HE LYS 41 HE1 LYS 41 5.565 -8.199 -8.973 301 1HZ LYS 41 HZ3 LYS 41 7.034 -8.451 -10.926 302 2HZ LYS 41 HZ2 LYS 41 8.330 -8.783 -9.880 303 3HZ LYS 41 HZ1 LYS 41 6.992 -9.829 -9.939 304 H ALA 42 HN ALA 42 7.950 -9.185 -5.645 305 HA ALA 42 HA ALA 42 5.421 -10.101 -6.625 306 1HB ALA 42 HB1 ALA 42 7.807 -11.272 -6.456 307 2HB ALA 42 HB3 ALA 42 7.138 -11.890 -4.947 308 3HB ALA 42 HB2 ALA 42 6.327 -12.230 -6.476 309 H ARG 43 HN ARG 43 6.787 -9.797 -3.378 310 HA ARG 43 HA ARG 43 4.662 -11.055 -1.934 311 1HB ARG 43 HB2 ARG 43 7.029 -9.451 -1.322 312 2HB ARG 43 HB1 ARG 43 5.690 -9.079 -0.240 313 1HG ARG 43 HG2 ARG 43 6.991 -10.910 0.707 314 2HG ARG 43 HG1 ARG 43 5.419 -11.527 0.196 315 1HD ARG 43 HD2 ARG 43 6.361 -12.435 -1.835 316 2HD ARG 43 HD1 ARG 43 7.912 -11.658 -1.517 317 HE ARG 43 HE ARG 43 7.548 -13.243 0.709 318 1HH1 ARG 43 HH21 ARG 43 5.858 -15.025 -0.991 319 2HH1 ARG 43 HH22 ARG 43 7.027 -16.116 -1.657 320 1HH2 ARG 43 HH11 ARG 43 9.739 -14.101 -0.879 321 2HH2 ARG 43 HH12 ARG 43 9.224 -15.592 -1.594 322 H CYS 44 HN CYS 44 5.193 -7.679 -2.942 323 HA CYS 44 HA CYS 44 2.903 -6.589 -1.582 324 1HB CYS 44 HB2 CYS 44 4.582 -5.616 -3.862 325 2HB CYS 44 HB1 CYS 44 3.090 -4.786 -3.406 326 H CYS 45 HN CYS 45 3.318 -8.061 -4.791 327 HA CYS 45 HA CYS 45 0.686 -7.263 -5.743 328 1HB CYS 45 HB2 CYS 45 2.788 -9.185 -6.723 329 2HB CYS 45 HB1 CYS 45 1.184 -9.181 -7.445 330 H ARG 46 HN ARG 46 2.006 -9.983 -3.966 331 HA ARG 46 HA ARG 46 -0.317 -11.693 -4.239 332 1HB ARG 46 HB2 ARG 46 2.114 -12.278 -3.452 333 2HB ARG 46 HB1 ARG 46 1.543 -11.797 -1.867 334 1HG ARG 46 HG2 ARG 46 -0.119 -13.692 -3.489 335 2HG ARG 46 HG1 ARG 46 1.285 -14.302 -2.614 336 1HD ARG 46 HD2 ARG 46 -0.066 -12.608 -0.798 337 2HD ARG 46 HD1 ARG 46 -1.317 -13.573 -1.582 338 HE ARG 46 HE ARG 46 0.769 -15.345 -0.878 339 1HH1 ARG 46 HH11 ARG 46 -2.263 -14.493 0.077 340 2HH1 ARG 46 HH12 ARG 46 -2.059 -14.847 1.760 341 1HH2 ARG 46 HH21 ARG 46 1.378 -15.261 1.527 342 2HH2 ARG 46 HH22 ARG 46 0.004 -15.282 2.581 343 H GLN 47 HN GLN 47 0.762 -9.163 -2.024 344 HA GLN 47 HA GLN 47 -1.485 -9.518 -0.168 345 1HB GLN 47 HB2 GLN 47 0.490 -7.236 -0.478 346 2HB GLN 47 HB1 GLN 47 -0.632 -7.439 0.866 347 1HG GLN 47 HG2 GLN 47 0.730 -9.909 0.629 348 2HG GLN 47 HG1 GLN 47 1.965 -8.662 0.461 349 1HE2 GLN 47 HE22 GLN 47 2.029 -8.193 3.939 350 2HE2 GLN 47 HE21 GLN 47 2.887 -8.291 2.478 351 H LEU 48 HN LEU 48 -0.827 -7.668 -3.046 352 HA LEU 48 HA LEU 48 -2.882 -5.683 -2.743 353 1HB LEU 48 HB2 LEU 48 -0.754 -5.709 -4.269 354 2HB LEU 48 HB1 LEU 48 -1.752 -6.622 -5.387 355 HG LEU 48 HG LEU 48 -1.728 -4.174 -5.858 356 1HD1 LEU 48 HD11 LEU 48 -3.762 -5.872 -6.119 357 2HD1 LEU 48 HD13 LEU 48 -4.513 -4.749 -4.986 358 3HD1 LEU 48 HD12 LEU 48 -3.913 -4.166 -6.538 359 1HD2 LEU 48 HD22 LEU 48 -1.780 -3.760 -3.213 360 2HD2 LEU 48 HD21 LEU 48 -2.425 -2.576 -4.350 361 3HD2 LEU 48 HD23 LEU 48 -3.516 -3.683 -3.518 362 H GLU 49 HN GLU 49 -2.677 -8.860 -4.309 363 HA GLU 49 HA GLU 49 -5.417 -8.724 -5.329 364 1HB GLU 49 HB2 GLU 49 -3.130 -10.508 -5.599 365 2HB GLU 49 HB1 GLU 49 -4.592 -11.431 -5.251 366 1HG GLU 49 HG2 GLU 49 -5.397 -9.504 -7.138 367 2HG GLU 49 HG1 GLU 49 -3.822 -10.059 -7.703 368 H ALA 50 HN ALA 50 -3.731 -10.228 -2.572 369 HA ALA 50 HA ALA 50 -5.843 -11.740 -1.451 370 1HB ALA 50 HB3 ALA 50 -3.315 -11.356 -0.688 371 2HB ALA 50 HB2 ALA 50 -4.062 -10.164 0.373 372 3HB ALA 50 HB1 ALA 50 -4.544 -11.858 0.471 373 H ILE 51 HN ILE 51 -5.074 -8.322 -1.290 374 HA ILE 51 HA ILE 51 -7.316 -7.617 0.458 375 HB ILE 51 HB ILE 51 -5.458 -5.906 -1.239 376 1HG1 ILE 51 HG12 ILE 51 -5.499 -6.215 1.769 377 2HG1 ILE 51 HG11 ILE 51 -4.526 -7.267 0.742 378 1HG2 ILE 51 HG23 ILE 51 -7.499 -5.163 0.881 379 2HG2 ILE 51 HG22 ILE 51 -6.304 -4.049 0.216 380 3HG2 ILE 51 HG21 ILE 51 -7.555 -4.727 -0.826 381 1HD1 ILE 51 HD13 ILE 51 -4.222 -4.415 0.094 382 2HD1 ILE 51 HD12 ILE 51 -3.712 -4.819 1.733 383 3HD1 ILE 51 HD11 ILE 51 -2.987 -5.647 0.356 384 HA PRO 52 HA PRO 52 -9.819 -8.216 -3.281 385 1HB PRO 52 HB2 PRO 52 -12.253 -7.674 -2.094 386 2HB PRO 52 HB1 PRO 52 -11.459 -9.260 -2.084 387 1HG PRO 52 HG2 PRO 52 -11.576 -7.194 0.091 388 2HG PRO 52 HG1 PRO 52 -11.590 -8.964 0.220 389 1HD PRO 52 HD2 PRO 52 -9.342 -7.451 0.715 390 2HD PRO 52 HD1 PRO 52 -9.279 -9.121 0.119 391 H ALA 53 HN ALA 53 -10.724 -6.830 -4.761 392 HA ALA 53 HA ALA 53 -9.944 -4.215 -5.009 393 1HB ALA 53 HB2 ALA 53 -11.327 -5.835 -6.583 394 2HB ALA 53 HB1 ALA 53 -12.683 -4.872 -5.995 395 3HB ALA 53 HB3 ALA 53 -11.343 -4.088 -6.835 396 H TYR 54 HN TYR 54 -12.657 -5.327 -3.074 397 HA TYR 54 HA TYR 54 -13.930 -2.765 -2.735 398 1HB TYR 54 HB2 TYR 54 -14.609 -5.303 -2.044 399 2HB TYR 54 HB1 TYR 54 -14.031 -4.709 -0.487 400 HD1 TYR 54 HD2 TYR 54 -14.873 -2.247 0.129 401 HD2 TYR 54 HD1 TYR 54 -16.837 -4.918 -2.603 402 HE1 TYR 54 HE2 TYR 54 -16.998 -1.006 0.442 403 HE2 TYR 54 HE1 TYR 54 -18.960 -3.677 -2.289 404 HH TYR 54 HH TYR 54 -19.593 -1.264 -1.588 405 H CYS 55 HN CYS 55 -13.048 -1.046 -1.733 406 HA CYS 55 HA CYS 55 -11.786 0.271 -0.261 407 1HB CYS 55 HB2 CYS 55 -12.176 -2.260 1.328 408 2HB CYS 55 HB1 CYS 55 -11.162 -0.961 1.950 409 H ARG 56 HN ARG 56 -10.443 -1.841 -2.259 410 HA ARG 56 HA ARG 56 -8.010 -2.825 -1.347 411 1HB ARG 56 HB2 ARG 56 -9.084 -1.990 -3.912 412 2HB ARG 56 HB1 ARG 56 -7.370 -1.595 -3.816 413 1HG ARG 56 HG2 ARG 56 -6.979 -3.971 -3.000 414 2HG ARG 56 HG1 ARG 56 -8.655 -4.309 -3.431 415 1HD ARG 56 HD2 ARG 56 -7.996 -3.281 -5.750 416 2HD ARG 56 HD1 ARG 56 -6.345 -3.617 -5.232 417 HE ARG 56 HE ARG 56 -7.428 -6.038 -4.822 418 1HH1 ARG 56 HH21 ARG 56 -9.326 -4.301 -6.866 419 2HH1 ARG 56 HH22 ARG 56 -9.069 -5.278 -8.268 420 1HH2 ARG 56 HH11 ARG 56 -6.479 -7.093 -6.855 421 2HH2 ARG 56 HH12 ARG 56 -7.459 -6.858 -8.264 422 H CYS 57 HN CYS 57 -7.742 0.230 -3.198 423 HA CYS 57 HA CYS 57 -5.399 1.267 -2.316 424 1HB CYS 57 HB2 CYS 57 -8.012 2.690 -2.765 425 2HB CYS 57 HB1 CYS 57 -6.532 3.582 -2.399 426 H GLU 58 HN GLU 58 -8.352 1.607 -0.215 427 HA GLU 58 HA GLU 58 -7.551 3.277 1.769 428 1HB GLU 58 HB2 GLU 58 -8.892 0.591 2.059 429 2HB GLU 58 HB1 GLU 58 -8.678 1.690 3.418 430 1HG GLU 58 HG2 GLU 58 -9.701 3.434 1.657 431 2HG GLU 58 HG1 GLU 58 -10.439 1.959 1.028 432 H ALA 59 HN ALA 59 -6.443 -0.159 1.672 433 HA ALA 59 HA ALA 59 -4.950 -0.348 3.979 434 1HB ALA 59 HB1 ALA 59 -5.169 -1.883 1.765 435 2HB ALA 59 HB3 ALA 59 -3.512 -1.308 1.586 436 3HB ALA 59 HB2 ALA 59 -3.990 -2.183 3.041 437 H VAL 60 HN VAL 60 -3.634 0.968 0.939 438 HA VAL 60 HA VAL 60 -1.060 1.703 1.754 439 HB VAL 60 HB VAL 60 -2.874 3.382 -0.005 440 1HG1 VAL 60 HG11 VAL 60 0.127 3.123 0.297 441 2HG1 VAL 60 HG13 VAL 60 -0.630 3.877 -1.107 442 3HG1 VAL 60 HG12 VAL 60 -0.855 4.574 0.498 443 1HG2 VAL 60 HG23 VAL 60 -1.285 0.867 -0.521 444 2HG2 VAL 60 HG22 VAL 60 -2.960 1.214 -0.950 445 3HG2 VAL 60 HG21 VAL 60 -1.646 2.001 -1.823 446 H ARG 61 HN ARG 61 -4.080 3.554 2.087 447 HA ARG 61 HA ARG 61 -3.007 5.856 3.389 448 1HB ARG 61 HB2 ARG 61 -5.732 4.554 3.683 449 2HB ARG 61 HB1 ARG 61 -5.315 6.128 4.350 450 1HG ARG 61 HG2 ARG 61 -4.565 5.905 1.530 451 2HG ARG 61 HG1 ARG 61 -6.290 5.643 1.780 452 1HD ARG 61 HD2 ARG 61 -5.635 8.060 1.408 453 2HD ARG 61 HD1 ARG 61 -6.533 7.764 2.897 454 HE ARG 61 HE ARG 61 -4.346 7.887 4.103 455 1HH1 ARG 61 HH21 ARG 61 -2.161 7.698 2.433 456 2HH1 ARG 61 HH22 ARG 61 -1.830 9.297 1.856 457 1HH2 ARG 61 HH11 ARG 61 -4.964 10.530 2.685 458 2HH2 ARG 61 HH12 ARG 61 -3.417 10.901 1.998 459 H ILE 62 HN ILE 62 -4.481 2.942 4.892 460 HA ILE 62 HA ILE 62 -4.024 3.510 7.596 461 HB ILE 62 HB ILE 62 -4.030 0.920 6.018 462 1HG1 ILE 62 HG12 ILE 62 -5.931 2.066 8.084 463 2HG1 ILE 62 HG11 ILE 62 -6.141 2.197 6.340 464 1HG2 ILE 62 HG23 ILE 62 -3.345 1.313 8.909 465 2HG2 ILE 62 HG22 ILE 62 -4.351 -0.067 8.476 466 3HG2 ILE 62 HG21 ILE 62 -2.743 0.108 7.772 467 1HD1 ILE 62 HD11 ILE 62 -5.667 -0.549 6.881 468 2HD1 ILE 62 HD13 ILE 62 -6.842 0.005 8.074 469 3HD1 ILE 62 HD12 ILE 62 -7.175 0.199 6.354 470 H LEU 63 HN LEU 63 -1.690 2.609 5.138 471 HA LEU 63 HA LEU 63 0.371 1.999 7.099 472 1HB LEU 63 HB2 LEU 63 0.351 1.041 4.762 473 2HB LEU 63 HB1 LEU 63 0.770 2.649 4.170 474 HG LEU 63 HG LEU 63 2.773 2.602 5.704 475 1HD1 LEU 63 HD11 LEU 63 1.543 -0.034 6.312 476 2HD1 LEU 63 HD13 LEU 63 3.298 -0.019 6.145 477 3HD1 LEU 63 HD12 LEU 63 2.517 1.018 7.339 478 1HD2 LEU 63 HD21 LEU 63 2.939 2.055 3.288 479 2HD2 LEU 63 HD23 LEU 63 4.086 1.116 4.244 480 3HD2 LEU 63 HD22 LEU 63 2.603 0.363 3.658 481 H MET 64 HN MET 64 -0.422 4.802 5.074 482 HA MET 64 HA MET 64 1.861 6.328 6.066 483 1HB MET 64 HB2 MET 64 0.733 6.705 3.828 484 2HB MET 64 HB1 MET 64 -0.626 7.420 4.697 485 1HG MET 64 HG2 MET 64 2.064 8.441 5.433 486 2HG MET 64 HG1 MET 64 1.492 8.865 3.820 487 1HE MET 64 HE3 MET 64 1.590 9.518 7.384 488 2HE MET 64 HE2 MET 64 2.075 10.885 6.384 489 3HE MET 64 HE1 MET 64 0.716 11.052 7.490 490 H ASP 65 HN ASP 65 -1.680 6.621 6.597 491 HA ASP 65 HA ASP 65 -1.264 8.487 8.796 492 1HB ASP 65 HB2 ASP 65 -3.781 7.404 7.481 493 2HB ASP 65 HB1 ASP 65 -3.847 8.204 9.050 494 H GLY 66 HN GLY 66 -1.615 5.021 8.514 495 1HA GLY 66 HA2 GLY 66 -1.229 3.481 10.303 496 2HA GLY 66 HA1 GLY 66 -1.364 4.813 11.451 497 H VAL 67 HN VAL 67 -2.723 2.187 11.472 498 HA VAL 67 HA VAL 67 -5.581 3.078 11.353 499 HB VAL 67 HB VAL 67 -5.201 1.311 9.758 500 1HG1 VAL 67 HG11 VAL 67 -3.992 -0.200 12.087 501 2HG1 VAL 67 HG13 VAL 67 -4.313 -0.900 10.502 502 3HG1 VAL 67 HG12 VAL 67 -3.129 0.397 10.670 503 1HG2 VAL 67 HG21 VAL 67 -7.285 1.216 11.177 504 2HG2 VAL 67 HG23 VAL 67 -6.797 -0.337 10.498 505 3HG2 VAL 67 HG22 VAL 67 -6.462 0.030 12.190 506 H VAL 68 HN VAL 68 -6.992 2.140 13.001 507 HA VAL 68 HA VAL 68 -5.537 1.598 15.550 508 HB VAL 68 HB VAL 68 -8.160 3.051 15.070 509 1HG1 VAL 68 HG13 VAL 68 -6.856 2.245 17.697 510 2HG1 VAL 68 HG12 VAL 68 -8.247 3.318 17.543 511 3HG1 VAL 68 HG11 VAL 68 -8.384 1.625 17.070 512 1HG2 VAL 68 HG22 VAL 68 -5.365 3.789 15.801 513 2HG2 VAL 68 HG21 VAL 68 -6.549 4.681 14.847 514 3HG2 VAL 68 HG23 VAL 68 -6.662 4.675 16.606 515 H THR 69 HN THR 69 -6.612 0.190 17.028 516 HA THR 69 HA THR 69 -8.276 -1.896 15.721 517 HB THR 69 HB THR 69 -7.185 -3.458 17.392 518 HG1 THR 69 HG1 THR 69 -5.557 -2.725 18.574 519 1HG2 THR 69 HG21 THR 69 -6.491 -3.218 14.986 520 2HG2 THR 69 HG23 THR 69 -5.266 -2.063 15.511 521 3HG2 THR 69 HG22 THR 69 -5.190 -3.738 16.058 522 H SER 70 HN SER 70 -9.680 -3.065 17.159 523 HA SER 70 HA SER 70 -11.368 -1.395 18.704 524 1HB SER 70 HB2 SER 70 -12.044 -3.523 17.560 525 2HB SER 70 HB1 SER 70 -11.178 -4.411 18.811 526 HG SER 70 HG SER 70 -12.552 -3.345 20.343 527 H SER 71 HN SER 71 -8.749 -3.497 19.587 528 HA SER 71 HA SER 71 -9.177 -3.541 22.429 529 1HB SER 71 HB2 SER 71 -6.643 -4.054 22.439 530 2HB SER 71 HB1 SER 71 -7.703 -5.191 21.612 531 HG SER 71 HG SER 71 -5.681 -4.226 20.535 532 H GLY 72 HN GLY 72 -8.003 -1.078 20.314 533 1HA GLY 72 HA2 GLY 72 -7.795 1.240 21.094 534 2HA GLY 72 HA1 GLY 72 -7.305 0.601 22.666 535 H GLN 73 HN GLN 73 -5.855 -1.104 20.027 536 HA GLN 73 HA GLN 73 -3.255 0.254 20.617 537 1HB GLN 73 HB2 GLN 73 -3.623 -2.345 19.112 538 2HB GLN 73 HB1 GLN 73 -2.172 -1.751 19.913 539 1HG GLN 73 HG2 GLN 73 -4.740 -2.553 21.318 540 2HG GLN 73 HG1 GLN 73 -3.272 -3.527 21.243 541 1HE2 GLN 73 HE22 GLN 73 -3.518 -1.108 24.291 542 2HE2 GLN 73 HE21 GLN 73 -4.787 -1.921 23.507 543 H HIS 74 HN HIS 74 -1.815 0.731 18.764 544 HA HIS 74 HA HIS 74 -3.343 1.259 16.246 545 1HB HIS 74 HB2 HIS 74 -1.128 2.744 17.639 546 2HB HIS 74 HB1 HIS 74 -1.442 2.981 15.937 547 HD1 HIS 74 HD1 HIS 74 -2.475 5.286 15.967 548 HD2 HIS 74 HD2 HIS 74 -4.298 2.709 18.688 549 HE1 HIS 74 HE1 HIS 74 -4.495 6.512 16.876 550 H GLU 75 HN GLU 75 -2.118 0.970 14.270 551 HA GLU 75 HA GLU 75 0.432 -0.511 14.464 552 1HB GLU 75 HB2 GLU 75 -1.881 -1.551 12.815 553 2HB GLU 75 HB1 GLU 75 -0.310 -2.313 13.051 554 1HG GLU 75 HG2 GLU 75 -2.222 -1.755 15.329 555 2HG GLU 75 HG1 GLU 75 -2.190 -3.280 14.449 556 H GLY 76 HN GLY 76 1.014 -1.116 11.993 557 1HA GLY 76 HA2 GLY 76 1.760 -0.258 9.948 558 2HA GLY 76 HA1 GLY 76 0.244 0.645 9.894 559 H ARG 77 HN ARG 77 0.926 2.660 9.327 560 HA ARG 77 HA ARG 77 2.000 4.747 9.450 561 1HB ARG 77 HB2 ARG 77 0.729 4.413 11.729 562 2HB ARG 77 HB1 ARG 77 2.358 4.282 12.394 563 1HG ARG 77 HG2 ARG 77 2.956 6.460 11.610 564 2HG ARG 77 HG1 ARG 77 1.510 6.569 10.605 565 1HD ARG 77 HD2 ARG 77 0.977 7.865 12.508 566 2HD ARG 77 HD1 ARG 77 0.193 6.315 12.816 567 HE ARG 77 HE ARG 77 2.702 6.052 13.980 568 1HH1 ARG 77 HH21 ARG 77 -0.255 6.630 15.094 569 2HH1 ARG 77 HH22 ARG 77 0.166 7.761 16.337 570 1HH2 ARG 77 HH11 ARG 77 3.405 8.222 15.190 571 2HH2 ARG 77 HH12 ARG 77 2.238 8.662 16.392 572 H LEU 78 HN LEU 78 3.718 2.250 9.189 573 HA LEU 78 HA LEU 78 6.162 2.769 10.677 574 1HB LEU 78 HB2 LEU 78 5.666 0.976 8.282 575 2HB LEU 78 HB1 LEU 78 7.103 0.949 9.305 576 HG LEU 78 HG LEU 78 4.522 0.753 10.749 577 1HD1 LEU 78 HD12 LEU 78 4.721 -0.777 8.448 578 2HD1 LEU 78 HD11 LEU 78 5.341 -1.863 9.691 579 3HD1 LEU 78 HD13 LEU 78 3.728 -1.167 9.852 580 1HD2 LEU 78 HD22 LEU 78 7.146 0.411 11.387 581 2HD2 LEU 78 HD21 LEU 78 5.824 -0.343 12.278 582 3HD2 LEU 78 HD23 LEU 78 6.686 -1.256 11.039 583 H LEU 79 HN LEU 79 4.835 3.941 7.667 584 HA LEU 79 HA LEU 79 7.260 4.570 6.283 585 1HB LEU 79 HB2 LEU 79 4.564 5.972 6.249 586 2HB LEU 79 HB1 LEU 79 5.865 6.273 5.095 587 HG LEU 79 HG LEU 79 4.616 3.551 5.565 588 1HD1 LEU 79 HD12 LEU 79 3.944 5.799 3.701 589 2HD1 LEU 79 HD11 LEU 79 3.793 4.142 3.114 590 3HD1 LEU 79 HD13 LEU 79 2.868 4.668 4.521 591 1HD2 LEU 79 HD21 LEU 79 6.660 4.675 3.647 592 2HD2 LEU 79 HD23 LEU 79 6.782 3.239 4.665 593 3HD2 LEU 79 HD22 LEU 79 5.734 3.227 3.246 594 H GLN 80 HN GLN 80 8.797 5.462 7.675 595 HA GLN 80 HA GLN 80 8.285 8.259 8.547 596 1HB GLN 80 HB2 GLN 80 9.482 6.142 10.359 597 2HB GLN 80 HB1 GLN 80 9.199 7.835 10.768 598 1HG GLN 80 HG2 GLN 80 6.717 7.269 10.055 599 2HG GLN 80 HG1 GLN 80 7.215 5.615 10.415 600 1HE2 GLN 80 HE22 GLN 80 7.284 8.330 13.518 601 2HE2 GLN 80 HE21 GLN 80 7.608 8.874 11.943 602 H ASP 81 HN ASP 81 10.445 9.130 9.493 603 HA ASP 81 HA ASP 81 12.335 9.384 7.466 604 1HB ASP 81 HB2 ASP 81 12.787 9.646 10.460 605 2HB ASP 81 HB1 ASP 81 13.853 10.285 9.206 606 H LEU 82 HN LEU 82 13.367 7.751 6.549 607 HA LEU 82 HA LEU 82 14.666 5.616 8.154 608 1HB LEU 82 HB2 LEU 82 13.751 5.853 5.289 609 2HB LEU 82 HB1 LEU 82 14.993 4.683 5.695 610 HG LEU 82 HG LEU 82 12.254 4.855 6.996 611 1HD1 LEU 82 HD13 LEU 82 13.396 3.208 4.769 612 2HD1 LEU 82 HD12 LEU 82 12.237 2.454 5.863 613 3HD1 LEU 82 HD11 LEU 82 11.777 3.884 4.940 614 1HD2 LEU 82 HD23 LEU 82 14.720 3.242 7.518 615 2HD2 LEU 82 HD22 LEU 82 13.526 3.860 8.659 616 3HD2 LEU 82 HD21 LEU 82 13.161 2.434 7.688 617 HA PRO 83 HA PRO 83 18.653 7.287 7.459 618 1HB PRO 83 HB2 PRO 83 20.181 5.215 6.451 619 2HB PRO 83 HB1 PRO 83 19.741 5.410 8.157 620 1HG PRO 83 HG2 PRO 83 18.577 3.562 6.108 621 2HG PRO 83 HG1 PRO 83 18.759 3.331 7.856 622 1HD PRO 83 HD2 PRO 83 16.371 3.995 6.626 623 2HD PRO 83 HD1 PRO 83 16.731 4.337 8.326 624 H GLY 84 HN GLY 84 18.392 8.826 5.937 625 1HA GLY 84 HA2 GLY 84 19.177 9.860 3.949 626 2HA GLY 84 HA1 GLY 84 19.411 8.273 3.210 627 H CYS 85 HN CYS 85 16.372 7.911 4.458 628 HA CYS 85 HA CYS 85 15.094 9.125 2.051 629 1HB CYS 85 HB2 CYS 85 14.739 6.437 3.300 630 2HB CYS 85 HB1 CYS 85 13.370 7.181 2.482 631 HA PRO 86 HA PRO 86 13.024 11.042 5.699 632 1HB PRO 86 HB2 PRO 86 12.357 13.380 4.391 633 2HB PRO 86 HB1 PRO 86 13.875 13.133 5.241 634 1HG PRO 86 HG2 PRO 86 13.346 13.136 2.316 635 2HG PRO 86 HG1 PRO 86 14.834 13.547 3.185 636 1HD PRO 86 HD2 PRO 86 14.370 11.150 1.831 637 2HD PRO 86 HD1 PRO 86 15.628 11.392 3.061 638 H ARG 87 HN ARG 87 10.723 11.822 5.953 639 HA ARG 87 HA ARG 87 8.741 10.237 4.826 640 1HB ARG 87 HB2 ARG 87 8.507 13.144 5.656 641 2HB ARG 87 HB1 ARG 87 7.170 12.016 5.496 642 1HG ARG 87 HG2 ARG 87 9.250 10.900 7.182 643 2HG ARG 87 HG1 ARG 87 8.740 12.476 7.782 644 1HD ARG 87 HD2 ARG 87 6.976 10.073 7.238 645 2HD ARG 87 HD1 ARG 87 7.311 10.817 8.802 646 HE ARG 87 HE ARG 87 5.332 11.720 6.895 647 1HH1 ARG 87 HH11 ARG 87 7.337 13.999 7.167 648 2HH1 ARG 87 HH12 ARG 87 6.641 14.903 8.471 649 1HH2 ARG 87 HH21 ARG 87 4.544 12.335 9.483 650 2HH2 ARG 87 HH22 ARG 87 5.060 13.961 9.782 651 H GLN 88 HN GLN 88 10.277 13.119 3.559 652 HA GLN 88 HA GLN 88 8.411 13.919 1.575 653 1HB GLN 88 HB2 GLN 88 11.427 14.013 1.307 654 2HB GLN 88 HB1 GLN 88 10.258 15.058 0.500 655 1HG GLN 88 HG2 GLN 88 9.777 15.146 3.342 656 2HG GLN 88 HG1 GLN 88 11.487 15.447 3.043 657 1HE2 GLN 88 HE22 GLN 88 8.907 18.401 2.351 658 2HE2 GLN 88 HE21 GLN 88 8.558 17.032 3.292 659 H VAL 89 HN VAL 89 11.223 11.701 1.119 660 HA VAL 89 HA VAL 89 10.637 11.057 -1.594 661 HB VAL 89 HB VAL 89 12.094 9.471 0.533 662 1HG1 VAL 89 HG12 VAL 89 11.711 9.148 -2.403 663 2HG1 VAL 89 HG11 VAL 89 13.336 8.866 -1.778 664 3HG1 VAL 89 HG13 VAL 89 11.979 7.920 -1.166 665 1HG2 VAL 89 HG22 VAL 89 12.922 11.632 -1.382 666 2HG2 VAL 89 HG21 VAL 89 13.072 11.616 0.377 667 3HG2 VAL 89 HG23 VAL 89 14.080 10.553 -0.604 668 H GLN 90 HN GLN 90 9.697 9.623 1.479 669 HA GLN 90 HA GLN 90 8.393 7.293 0.429 670 1HB GLN 90 HB2 GLN 90 8.781 8.491 2.992 671 2HB GLN 90 HB1 GLN 90 7.050 8.248 2.803 672 1HG GLN 90 HG2 GLN 90 8.065 6.255 3.803 673 2HG GLN 90 HG1 GLN 90 7.452 5.880 2.194 674 1HE2 GLN 90 HE22 GLN 90 11.510 6.457 2.161 675 2HE2 GLN 90 HE21 GLN 90 10.503 7.664 2.792 676 H ARG 91 HN ARG 91 7.446 10.646 0.674 677 HA ARG 91 HA ARG 91 4.607 10.148 0.201 678 1HB ARG 91 HB2 ARG 91 6.045 12.302 1.174 679 2HB ARG 91 HB1 ARG 91 5.596 12.842 -0.444 680 1HG ARG 91 HG2 ARG 91 3.804 13.485 1.036 681 2HG ARG 91 HG1 ARG 91 3.223 12.121 0.080 682 1HD ARG 91 HD2 ARG 91 4.374 10.832 2.210 683 2HD ARG 91 HD1 ARG 91 3.755 12.293 2.977 684 HE ARG 91 HE ARG 91 2.089 10.271 1.552 685 1HH1 ARG 91 HH21 ARG 91 2.448 11.884 4.421 686 2HH1 ARG 91 HH22 ARG 91 0.814 12.444 4.539 687 1HH2 ARG 91 HH11 ARG 91 -0.030 11.492 1.316 688 2HH2 ARG 91 HH12 ARG 91 -0.588 12.221 2.785 689 H ALA 92 HN ALA 92 7.440 10.997 -1.752 690 HA ALA 92 HA ALA 92 6.019 11.570 -4.187 691 1HB ALA 92 HB1 ALA 92 8.845 10.987 -3.433 692 2HB ALA 92 HB3 ALA 92 8.402 10.780 -5.128 693 3HB ALA 92 HB2 ALA 92 8.181 12.344 -4.342 694 H PHE 93 HN PHE 93 7.684 8.606 -3.054 695 HA PHE 93 HA PHE 93 6.734 7.027 -5.318 696 1HB PHE 93 HB2 PHE 93 8.875 6.453 -4.312 697 2HB PHE 93 HB1 PHE 93 8.112 6.240 -2.741 698 HD1 PHE 93 HD1 PHE 93 6.547 4.337 -2.340 699 HD2 PHE 93 HD2 PHE 93 8.735 4.739 -6.014 700 HE1 PHE 93 HE1 PHE 93 6.020 1.987 -2.909 701 HE2 PHE 93 HE2 PHE 93 8.213 2.381 -6.580 702 HZ PHE 93 HZ PHE 93 6.852 1.005 -5.028 703 H ALA 94 HN ALA 94 5.587 7.741 -2.103 704 HA ALA 94 HA ALA 94 4.093 5.622 -1.289 705 1HB ALA 94 HB1 ALA 94 3.713 8.556 -1.113 706 2HB ALA 94 HB3 ALA 94 2.296 7.574 -0.740 707 3HB ALA 94 HB2 ALA 94 3.790 7.347 0.171 708 HA PRO 95 HA PRO 95 0.396 6.559 -4.176 709 1HB PRO 95 HB2 PRO 95 0.814 8.275 -6.296 710 2HB PRO 95 HB1 PRO 95 0.150 8.776 -4.731 711 1HG PRO 95 HG2 PRO 95 2.886 9.209 -5.837 712 2HG PRO 95 HG1 PRO 95 1.982 10.181 -4.662 713 1HD PRO 95 HD2 PRO 95 4.043 8.386 -4.044 714 2HD PRO 95 HD1 PRO 95 2.890 9.038 -2.876 715 H LYS 96 HN LYS 96 0.215 6.377 -6.932 716 HA LYS 96 HA LYS 96 0.722 4.952 -8.732 717 1HB LYS 96 HB2 LYS 96 3.552 4.928 -7.638 718 2HB LYS 96 HB1 LYS 96 3.043 4.614 -9.297 719 1HG LYS 96 HG2 LYS 96 2.155 6.972 -9.390 720 2HG LYS 96 HG1 LYS 96 2.896 7.252 -7.813 721 1HD LYS 96 HD2 LYS 96 5.102 6.785 -8.694 722 2HD LYS 96 HD1 LYS 96 4.423 6.286 -10.246 723 1HE LYS 96 HE2 LYS 96 3.437 8.624 -10.433 724 2HE LYS 96 HE1 LYS 96 4.426 9.065 -9.041 725 1HZ LYS 96 HZ3 LYS 96 6.182 7.810 -10.707 726 2HZ LYS 96 HZ2 LYS 96 5.192 8.681 -11.778 727 3HZ LYS 96 HZ1 LYS 96 6.008 9.487 -10.528 728 H LEU 97 HN LEU 97 0.186 3.993 -5.840 729 HA LEU 97 HA LEU 97 1.562 1.459 -5.534 730 1HB LEU 97 HB2 LEU 97 -0.082 3.063 -3.945 731 2HB LEU 97 HB1 LEU 97 -1.032 1.601 -4.193 732 HG LEU 97 HG LEU 97 0.396 1.404 -2.189 733 1HD1 LEU 97 HD13 LEU 97 0.599 -0.372 -4.533 734 2HD1 LEU 97 HD12 LEU 97 1.894 -0.587 -3.357 735 3HD1 LEU 97 HD11 LEU 97 0.212 -0.756 -2.857 736 1HD2 LEU 97 HD23 LEU 97 2.223 2.887 -3.502 737 2HD2 LEU 97 HD22 LEU 97 2.662 1.815 -2.172 738 3HD2 LEU 97 HD21 LEU 97 2.877 1.285 -3.841 739 H VAL 98 HN VAL 98 -1.994 1.962 -6.162 740 HA VAL 98 HA VAL 98 -2.141 -0.742 -7.290 741 HB VAL 98 HB VAL 98 -4.530 -0.200 -7.556 742 1HG1 VAL 98 HG13 VAL 98 -3.223 -0.802 -5.327 743 2HG1 VAL 98 HG12 VAL 98 -3.859 0.771 -4.843 744 3HG1 VAL 98 HG11 VAL 98 -4.962 -0.512 -5.343 745 1HG2 VAL 98 HG23 VAL 98 -3.769 2.392 -7.765 746 2HG2 VAL 98 HG22 VAL 98 -5.400 1.915 -7.291 747 3HG2 VAL 98 HG21 VAL 98 -4.214 2.348 -6.060 748 H THR 99 HN THR 99 -0.689 1.592 -8.683 749 HA THR 99 HA THR 99 -2.182 1.678 -11.234 750 HB THR 99 HB THR 99 -0.738 3.507 -11.874 751 HG1 THR 99 HG1 THR 99 1.113 3.980 -10.777 752 1HG2 THR 99 HG21 THR 99 -2.465 3.824 -9.971 753 2HG2 THR 99 HG23 THR 99 -1.049 3.963 -8.929 754 3HG2 THR 99 HG22 THR 99 -1.278 5.098 -10.260 755 H GLU 100 HN GLU 100 -0.564 1.522 -13.270 756 HA GLU 100 HA GLU 100 0.490 -1.118 -13.293 757 1HB GLU 100 HB2 GLU 100 0.001 0.872 -15.165 758 2HB GLU 100 HB1 GLU 100 1.751 0.679 -15.236 759 1HG GLU 100 HG2 GLU 100 0.337 -1.892 -15.101 760 2HG GLU 100 HG1 GLU 100 -0.110 -0.941 -16.516 761 H VAL 101 HN VAL 101 1.952 1.508 -11.603 762 HA VAL 101 HA VAL 101 4.705 0.648 -12.248 763 HB VAL 101 HB VAL 101 3.830 2.768 -10.271 764 1HG1 VAL 101 HG11 VAL 101 6.411 2.065 -11.677 765 2HG1 VAL 101 HG13 VAL 101 6.147 3.642 -10.936 766 3HG1 VAL 101 HG12 VAL 101 6.117 2.186 -9.943 767 1HG2 VAL 101 HG21 VAL 101 2.913 3.248 -12.529 768 2HG2 VAL 101 HG23 VAL 101 4.182 4.390 -12.088 769 3HG2 VAL 101 HG22 VAL 101 4.530 3.075 -13.210 770 H GLU 102 HN GLU 102 2.330 -0.483 -10.160 771 HA GLU 102 HA GLU 102 4.429 -1.553 -8.341 772 1HB GLU 102 HB2 GLU 102 2.285 0.277 -7.615 773 2HB GLU 102 HB1 GLU 102 2.217 -1.211 -6.668 774 1HG GLU 102 HG2 GLU 102 4.855 0.173 -7.054 775 2HG GLU 102 HG1 GLU 102 3.718 0.783 -5.850 776 H CYS 103 HN CYS 103 0.911 -2.016 -7.858 777 HA CYS 103 HA CYS 103 1.093 -4.743 -9.064 778 1HB CYS 103 HB2 CYS 103 0.549 -4.098 -6.157 779 2HB CYS 103 HB1 CYS 103 -0.007 -5.601 -6.894 780 H ASN 104 HN ASN 104 -0.356 -2.376 -9.949 781 HA ASN 104 HA ASN 104 -2.886 -1.807 -9.243 782 1HB ASN 104 HB2 ASN 104 -3.508 -1.792 -11.731 783 2HB ASN 104 HB1 ASN 104 -2.142 -0.811 -11.233 784 1HD2 ASN 104 HD22 ASN 104 -1.528 -3.397 -14.143 785 2HD2 ASN 104 HD21 ASN 104 -3.019 -2.700 -13.727 786 H LEU 105 HN LEU 105 -2.397 -4.667 -11.410 787 HA LEU 105 HA LEU 105 -3.899 -6.437 -11.864 788 1HB LEU 105 HB2 LEU 105 -3.780 -6.222 -8.853 789 2HB LEU 105 HB1 LEU 105 -4.664 -7.523 -9.648 790 HG LEU 105 HG LEU 105 -2.006 -7.171 -10.813 791 1HD1 LEU 105 HD13 LEU 105 -2.274 -7.286 -7.853 792 2HD1 LEU 105 HD12 LEU 105 -1.087 -8.370 -8.578 793 3HD1 LEU 105 HD11 LEU 105 -0.968 -6.630 -8.842 794 1HD2 LEU 105 HD21 LEU 105 -3.882 -9.203 -10.434 795 2HD2 LEU 105 HD23 LEU 105 -2.254 -9.408 -11.080 796 3HD2 LEU 105 HD22 LEU 105 -2.559 -9.660 -9.362 797 H ALA 106 HN ALA 106 -5.172 -3.744 -11.888 798 HA ALA 106 HA ALA 106 -7.310 -2.839 -12.124 799 1HB ALA 106 HB1 ALA 106 -7.681 -5.707 -12.379 800 2HB ALA 106 HB3 ALA 106 -9.066 -4.984 -11.560 801 3HB ALA 106 HB2 ALA 106 -8.579 -4.401 -13.150 802 H THR 107 HN THR 107 -8.942 -2.000 -10.745 803 HA THR 107 HA THR 107 -8.664 -2.752 -7.857 804 HB THR 107 HB THR 107 -8.754 -0.466 -7.229 805 HG1 THR 107 HG1 THR 107 -9.560 1.127 -8.563 806 1HG2 THR 107 HG21 THR 107 -6.832 -1.219 -9.023 807 2HG2 THR 107 HG23 THR 107 -7.482 0.232 -9.785 808 3HG2 THR 107 HG22 THR 107 -6.842 0.309 -8.143 809 H ILE 108 HN ILE 108 -10.895 -1.110 -7.000 810 HA ILE 108 HA ILE 108 -13.117 -2.856 -7.612 811 HB ILE 108 HB ILE 108 -12.963 -1.601 -5.472 812 1HG1 ILE 108 HG12 ILE 108 -15.380 -0.459 -6.819 813 2HG1 ILE 108 HG11 ILE 108 -15.197 -2.213 -6.791 814 1HG2 ILE 108 HG21 ILE 108 -11.968 0.476 -6.431 815 2HG2 ILE 108 HG23 ILE 108 -13.523 0.848 -7.173 816 3HG2 ILE 108 HG22 ILE 108 -13.372 0.810 -5.417 817 1HD1 ILE 108 HD12 ILE 108 -14.685 -0.800 -4.227 818 2HD1 ILE 108 HD11 ILE 108 -16.359 -0.834 -4.779 819 3HD1 ILE 108 HD13 ILE 108 -15.485 -2.344 -4.521 820 H HIS 109 HN HIS 109 -11.925 0.196 -8.840 821 HA HIS 109 HA HIS 109 -14.198 0.924 -10.465 822 1HB HIS 109 HB2 HIS 109 -11.282 1.718 -10.514 823 2HB HIS 109 HB1 HIS 109 -12.537 2.492 -11.484 824 HD1 HIS 109 HD1 HIS 109 -14.334 3.899 -10.214 825 HD2 HIS 109 HD2 HIS 109 -11.350 2.339 -7.761 826 HE1 HIS 109 HE1 HIS 109 -14.551 5.073 -7.984 827 H GLY 110 HN GLY 110 -12.190 -1.727 -10.882 828 1HA GLY 110 HA2 GLY 110 -11.683 -3.098 -12.698 829 2HA GLY 110 HA1 GLY 110 -13.047 -2.327 -13.509 830 H GLY 111 HN GLY 111 -10.224 -0.587 -12.324 831 1HA GLY 111 HA2 GLY 111 -8.908 -0.454 -14.928 832 2HA GLY 111 HA1 GLY 111 -9.737 1.039 -14.491 833 HA PRO 112 HA PRO 112 -5.506 0.799 -12.391 834 1HB PRO 112 HB2 PRO 112 -4.111 2.480 -14.076 835 2HB PRO 112 HB1 PRO 112 -4.149 0.718 -14.253 836 1HG PRO 112 HG2 PRO 112 -5.507 2.811 -15.874 837 2HG PRO 112 HG1 PRO 112 -5.056 1.162 -16.330 838 1HD PRO 112 HD2 PRO 112 -7.657 2.058 -15.624 839 2HD PRO 112 HD1 PRO 112 -7.139 0.372 -15.823 840 H PHE 113 HN PHE 113 -7.199 2.115 -11.061 841 HA PHE 113 HA PHE 113 -6.089 4.543 -10.190 842 1HB PHE 113 HB2 PHE 113 -7.693 6.237 -10.999 843 2HB PHE 113 HB1 PHE 113 -6.800 5.527 -12.333 844 HD1 PHE 113 HD2 PHE 113 -7.907 3.789 -13.786 845 HD2 PHE 113 HD1 PHE 113 -10.074 6.006 -10.811 846 HE1 PHE 113 HE2 PHE 113 -10.040 3.183 -14.891 847 HE2 PHE 113 HE1 PHE 113 -12.208 5.405 -11.923 848 HZ PHE 113 HZ PHE 113 -12.194 3.998 -13.971 849 H CYS 114 HN CYS 114 -7.363 5.543 -8.436 850 HA CYS 114 HA CYS 114 -9.970 4.401 -7.769 851 1HB CYS 114 HB2 CYS 114 -9.338 3.396 -5.662 852 2HB CYS 114 HB1 CYS 114 -8.308 2.704 -6.912 853 H LEU 115 HN LEU 115 -11.054 5.690 -6.101 854 HA LEU 115 HA LEU 115 -11.543 7.688 -4.995 855 1HB LEU 115 HB2 LEU 115 -9.258 6.672 -3.874 856 2HB LEU 115 HB1 LEU 115 -8.720 8.283 -4.347 857 HG LEU 115 HG LEU 115 -11.202 8.806 -3.258 858 1HD1 LEU 115 HD13 LEU 115 -10.851 6.235 -2.507 859 2HD1 LEU 115 HD12 LEU 115 -10.007 7.040 -1.184 860 3HD1 LEU 115 HD11 LEU 115 -11.700 7.414 -1.507 861 1HD2 LEU 115 HD23 LEU 115 -8.701 9.684 -2.872 862 2HD2 LEU 115 HD22 LEU 115 -9.992 10.034 -1.723 863 3HD2 LEU 115 HD21 LEU 115 -8.861 8.720 -1.403 864 H SER 116 HN SER 116 -10.549 10.109 -4.796 865 HA SER 116 HA SER 116 -10.216 12.112 -5.945 866 1HB SER 116 HB2 SER 116 -8.148 10.247 -6.915 867 2HB SER 116 HB1 SER 116 -8.474 11.594 -8.003 868 HG SER 116 HG SER 116 -7.792 11.700 -5.246 869 H LEU 117 HN LEU 117 -9.653 10.259 -8.918 870 HA LEU 117 HA LEU 117 -10.802 10.244 -10.945 871 1HB LEU 117 HB2 LEU 117 -12.778 9.692 -8.832 872 2HB LEU 117 HB1 LEU 117 -13.490 10.309 -10.323 873 HG LEU 117 HG LEU 117 -11.486 8.380 -11.041 874 1HD1 LEU 117 HD11 LEU 117 -13.411 7.497 -8.881 875 2HD1 LEU 117 HD13 LEU 117 -12.616 6.370 -9.980 876 3HD1 LEU 117 HD12 LEU 117 -11.653 7.358 -8.880 877 1HD2 LEU 117 HD22 LEU 117 -14.512 8.463 -11.170 878 2HD2 LEU 117 HD21 LEU 117 -13.369 8.841 -12.458 879 3HD2 LEU 117 HD23 LEU 117 -13.558 7.176 -11.909 880 H LEU 118 HN LEU 118 -13.434 12.071 -9.402 881 HA LEU 118 HA LEU 118 -13.651 14.009 -11.391 882 1HB LEU 118 HB2 LEU 118 -14.441 13.993 -8.491 883 2HB LEU 118 HB1 LEU 118 -14.620 15.458 -9.448 884 HG LEU 118 HG LEU 118 -15.625 12.806 -10.465 885 1HD1 LEU 118 HD12 LEU 118 -16.484 13.655 -8.075 886 2HD1 LEU 118 HD11 LEU 118 -17.495 14.683 -9.090 887 3HD1 LEU 118 HD13 LEU 118 -17.581 12.929 -9.250 888 1HD2 LEU 118 HD23 LEU 118 -15.914 15.695 -11.129 889 2HD2 LEU 118 HD22 LEU 118 -15.866 14.295 -12.201 890 3HD2 LEU 118 HD21 LEU 118 -17.350 14.692 -11.334 891 H GLY 119 HN GLY 119 -11.094 13.908 -9.012 892 1HA GLY 119 HA2 GLY 119 -10.392 16.739 -9.605 893 2HA GLY 119 HA1 GLY 119 -9.809 15.833 -8.208 894 H ALA 120 HN ALA 120 -9.959 14.766 -11.592 895 HA ALA 120 HA ALA 120 -7.057 14.137 -11.484 896 1HB ALA 120 HB1 ALA 120 -9.101 12.605 -12.336 897 2HB ALA 120 HB3 ALA 120 -8.712 13.414 -13.853 898 3HB ALA 120 HB2 ALA 120 -7.478 12.473 -13.014 899 H GLY 121 HN GLY 121 -7.313 16.766 -11.562 900 1HA GLY 121 HA2 GLY 121 -7.652 18.102 -14.040 901 2HA GLY 121 HA1 GLY 121 -6.629 18.685 -12.728 902 H GLU 122 HN GLU 122 -5.045 16.093 -12.870 903 HA GLU 122 HA GLU 122 -3.045 15.380 -13.861 904 1HB GLU 122 HB2 GLU 122 -4.726 16.142 -16.249 905 2HB GLU 122 HB1 GLU 122 -3.088 15.513 -16.442 906 1HG GLU 122 HG2 GLU 122 -3.744 13.529 -15.057 907 2HG GLU 122 HG1 GLU 122 -5.400 14.137 -15.044 No H/Q in entry = 907 Start of MODEL 7 Raw file had 930 H/Q atoms Start of MODEL 7 1 1H SER 1 HT3 SER 1 -24.466 7.304 9.394 2 2H SER 1 HT2 SER 1 -25.544 8.548 9.815 3 3H SER 1 HT1 SER 1 -25.686 7.770 8.312 4 HA SER 1 HA SER 1 -24.610 9.644 7.641 5 1HB SER 1 HB2 SER 1 -23.913 9.723 10.478 6 2HB SER 1 HB1 SER 1 -22.579 10.235 9.449 7 HG SER 1 HG SER 1 -23.821 12.022 9.781 8 H VAL 2 HN VAL 2 -21.972 8.354 9.621 9 HA VAL 2 HA VAL 2 -20.156 8.074 7.483 10 HB VAL 2 HB VAL 2 -19.119 6.260 9.088 11 1HG1 VAL 2 HG11 VAL 2 -19.504 9.187 9.772 12 2HG1 VAL 2 HG13 VAL 2 -18.342 8.142 10.589 13 3HG1 VAL 2 HG12 VAL 2 -18.174 8.469 8.864 14 1HG2 VAL 2 HG23 VAL 2 -21.623 6.597 10.276 15 2HG2 VAL 2 HG22 VAL 2 -20.221 5.824 11.016 16 3HG2 VAL 2 HG21 VAL 2 -20.537 7.535 11.301 17 H GLY 3 HN GLY 3 -20.640 5.000 9.026 18 1HA GLY 3 HA2 GLY 3 -22.406 3.646 7.376 19 2HA GLY 3 HA1 GLY 3 -20.903 3.689 6.451 20 H THR 4 HN THR 4 -20.231 1.558 6.637 21 HA THR 4 HA THR 4 -19.907 0.512 9.425 22 HB THR 4 HB THR 4 -21.471 -0.823 8.062 23 HG1 THR 4 HG1 THR 4 -20.469 -2.188 9.344 24 1HG2 THR 4 HG23 THR 4 -20.492 -0.207 5.858 25 2HG2 THR 4 HG22 THR 4 -19.097 -1.223 6.221 26 3HG2 THR 4 HG21 THR 4 -20.694 -1.949 6.038 27 H SER 5 HN SER 5 -18.045 2.158 7.572 28 HA SER 5 HA SER 5 -15.788 2.095 6.877 29 1HB SER 5 HB2 SER 5 -15.598 0.426 9.401 30 2HB SER 5 HB1 SER 5 -14.291 1.337 8.649 31 HG SER 5 HG SER 5 -16.389 2.185 10.220 32 H CYS 6 HN CYS 6 -13.802 0.168 7.139 33 HA CYS 6 HA CYS 6 -14.862 -1.964 5.350 34 1HB CYS 6 HB2 CYS 6 -12.097 -0.857 5.853 35 2HB CYS 6 HB1 CYS 6 -12.333 -2.404 5.040 36 H ILE 7 HN ILE 7 -15.254 -3.916 6.270 37 HA ILE 7 HA ILE 7 -14.942 -4.678 8.896 38 HB ILE 7 HB ILE 7 -14.579 -7.072 7.871 39 1HG1 ILE 7 HG12 ILE 7 -15.643 -5.763 5.399 40 2HG1 ILE 7 HG11 ILE 7 -13.898 -5.748 5.660 41 1HG2 ILE 7 HG22 ILE 7 -16.748 -5.686 8.612 42 2HG2 ILE 7 HG21 ILE 7 -17.083 -5.784 6.883 43 3HG2 ILE 7 HG23 ILE 7 -16.875 -7.260 7.826 44 1HD1 ILE 7 HD12 ILE 7 -14.766 -8.362 6.296 45 2HD1 ILE 7 HD11 ILE 7 -15.571 -7.929 4.788 46 3HD1 ILE 7 HD13 ILE 7 -13.812 -7.862 4.899 47 HA PRO 8 HA PRO 8 -10.400 -4.646 8.901 48 1HB PRO 8 HB2 PRO 8 -10.172 -4.192 11.603 49 2HB PRO 8 HB1 PRO 8 -10.402 -2.903 10.408 50 1HG PRO 8 HG2 PRO 8 -12.370 -4.048 12.335 51 2HG PRO 8 HG1 PRO 8 -12.316 -2.431 11.613 52 1HD PRO 8 HD2 PRO 8 -14.009 -4.543 10.810 53 2HD PRO 8 HD1 PRO 8 -13.695 -3.052 9.899 54 H GLY 9 HN GLY 9 -8.847 -6.182 9.925 55 1HA GLY 9 HA2 GLY 9 -8.237 -8.302 10.707 56 2HA GLY 9 HA1 GLY 9 -9.584 -8.159 11.833 57 H MET 10 HN MET 10 -10.546 -7.801 8.590 58 HA MET 10 HA MET 10 -11.329 -10.685 8.409 59 1HB MET 10 HB2 MET 10 -12.996 -8.220 7.850 60 2HB MET 10 HB1 MET 10 -13.453 -9.838 7.317 61 1HG MET 10 HG2 MET 10 -14.278 -10.302 9.356 62 2HG MET 10 HG1 MET 10 -12.712 -9.954 10.088 63 1HE MET 10 HE3 MET 10 -13.514 -9.433 11.995 64 2HE MET 10 HE2 MET 10 -13.825 -7.777 12.511 65 3HE MET 10 HE1 MET 10 -15.176 -8.853 12.165 66 H ALA 11 HN ALA 11 -9.639 -11.117 6.753 67 HA ALA 11 HA ALA 11 -9.091 -11.310 4.452 68 1HB ALA 11 HB2 ALA 11 -11.532 -10.111 4.208 69 2HB ALA 11 HB1 ALA 11 -10.480 -8.827 3.613 70 3HB ALA 11 HB3 ALA 11 -10.454 -10.415 2.846 71 H ILE 12 HN ILE 12 -9.499 -7.901 5.436 72 HA ILE 12 HA ILE 12 -6.745 -7.315 4.536 73 HB ILE 12 HB ILE 12 -8.954 -5.506 5.560 74 1HG1 ILE 12 HG12 ILE 12 -7.868 -5.481 2.765 75 2HG1 ILE 12 HG11 ILE 12 -9.030 -6.732 3.212 76 1HG2 ILE 12 HG23 ILE 12 -6.288 -4.972 5.671 77 2HG2 ILE 12 HG22 ILE 12 -6.660 -4.408 4.043 78 3HG2 ILE 12 HG21 ILE 12 -7.521 -3.735 5.427 79 1HD1 ILE 12 HD13 ILE 12 -10.483 -4.835 4.141 80 2HD1 ILE 12 HD12 ILE 12 -9.406 -3.733 3.284 81 3HD1 ILE 12 HD11 ILE 12 -10.346 -4.926 2.386 82 HA PRO 13 HA PRO 13 -6.088 -7.960 8.982 83 1HB PRO 13 HB2 PRO 13 -3.422 -8.598 8.813 84 2HB PRO 13 HB1 PRO 13 -4.737 -9.756 8.561 85 1HG PRO 13 HG2 PRO 13 -2.911 -8.547 6.567 86 2HG PRO 13 HG1 PRO 13 -3.890 -10.016 6.437 87 1HD PRO 13 HD2 PRO 13 -4.448 -7.433 5.329 88 2HD PRO 13 HD1 PRO 13 -5.488 -8.877 5.257 89 H HIS 14 HN HIS 14 -4.467 -7.052 10.576 90 HA HIS 14 HA HIS 14 -4.194 -4.222 10.201 91 1HB HIS 14 HB2 HIS 14 -2.930 -6.031 12.297 92 2HB HIS 14 HB1 HIS 14 -3.226 -4.310 12.437 93 HD1 HIS 14 HD1 HIS 14 -5.452 -3.609 13.386 94 HD2 HIS 14 HD2 HIS 14 -5.473 -7.561 12.069 95 HE1 HIS 14 HE1 HIS 14 -7.698 -4.582 14.063 96 H ASN 15 HN ASN 15 -2.151 -3.024 9.926 97 HA ASN 15 HA ASN 15 0.050 -2.713 9.166 98 1HB ASN 15 HB2 ASN 15 0.211 -4.828 10.931 99 2HB ASN 15 HB1 ASN 15 0.900 -5.511 9.457 100 1HD2 ASN 15 HD22 ASN 15 2.966 -2.692 11.525 101 2HD2 ASN 15 HD21 ASN 15 1.428 -3.199 12.033 102 HA PRO 16 HA PRO 16 -1.236 -4.955 5.284 103 1HB PRO 16 HB2 PRO 16 -2.162 -2.749 3.946 104 2HB PRO 16 HB1 PRO 16 -3.184 -3.769 4.973 105 1HG PRO 16 HG2 PRO 16 -2.077 -1.054 5.529 106 2HG PRO 16 HG1 PRO 16 -3.548 -1.815 6.156 107 1HD PRO 16 HD2 PRO 16 -1.102 -1.557 7.558 108 2HD PRO 16 HD1 PRO 16 -2.461 -2.610 8.001 109 H LEU 17 HN LEU 17 -0.397 -4.565 3.082 110 HA LEU 17 HA LEU 17 1.597 -4.352 1.821 111 1HB LEU 17 HB2 LEU 17 0.166 -1.820 2.193 112 2HB LEU 17 HB1 LEU 17 1.842 -1.612 1.683 113 HG LEU 17 HG LEU 17 1.094 -3.651 0.051 114 1HD1 LEU 17 HD11 LEU 17 -1.336 -2.647 1.149 115 2HD1 LEU 17 HD13 LEU 17 -1.266 -2.131 -0.536 116 3HD1 LEU 17 HD12 LEU 17 -1.140 -3.843 -0.131 117 1HD2 LEU 17 HD22 LEU 17 2.157 -1.420 -0.504 118 2HD2 LEU 17 HD21 LEU 17 0.996 -1.992 -1.702 119 3HD2 LEU 17 HD23 LEU 17 0.533 -0.733 -0.557 120 H ASP 18 HN ASP 18 2.491 -4.903 4.395 121 HA ASP 18 HA ASP 18 4.333 -2.829 5.292 122 1HB ASP 18 HB2 ASP 18 5.204 -4.552 6.820 123 2HB ASP 18 HB1 ASP 18 3.439 -4.546 6.847 124 H SER 19 HN SER 19 4.511 -5.662 3.222 125 HA SER 19 HA SER 19 7.357 -5.775 2.937 126 1HB SER 19 HB2 SER 19 6.712 -7.564 1.725 127 2HB SER 19 HB1 SER 19 5.043 -7.029 1.780 128 HG SER 19 HG SER 19 5.913 -7.213 -0.363 129 H CYS 20 HN CYS 20 4.811 -4.103 1.197 130 HA CYS 20 HA CYS 20 6.389 -2.869 -0.809 131 1HB CYS 20 HB2 CYS 20 3.935 -1.709 0.519 132 2HB CYS 20 HB1 CYS 20 4.534 -1.360 -1.106 133 H ARG 21 HN ARG 21 5.598 -1.841 2.495 134 HA ARG 21 HA ARG 21 6.730 0.749 2.368 135 1HB ARG 21 HB2 ARG 21 5.915 0.760 4.463 136 2HB ARG 21 HB1 ARG 21 5.651 -0.975 4.373 137 1HG ARG 21 HG2 ARG 21 7.042 -0.506 6.302 138 2HG ARG 21 HG1 ARG 21 8.039 -1.310 5.094 139 1HD ARG 21 HD2 ARG 21 9.315 0.553 4.721 140 2HD ARG 21 HD1 ARG 21 7.947 1.649 4.915 141 HE ARG 21 HE ARG 21 8.807 0.383 7.408 142 1HH1 ARG 21 HH21 ARG 21 9.387 2.908 5.129 143 2HH1 ARG 21 HH22 ARG 21 9.959 4.029 6.318 144 1HH2 ARG 21 HH11 ARG 21 9.470 1.866 8.985 145 2HH2 ARG 21 HH12 ARG 21 10.006 3.440 8.500 146 H TRP 22 HN TRP 22 8.264 -2.326 3.415 147 HA TRP 22 HA TRP 22 10.853 -1.085 3.663 148 1HB TRP 22 HB2 TRP 22 9.997 -3.956 3.603 149 2HB TRP 22 HB1 TRP 22 11.697 -3.527 3.491 150 HD1 TRP 22 HD1 TRP 22 9.318 -4.313 6.039 151 HE1 TRP 22 HE1 TRP 22 9.987 -3.261 8.315 152 HE3 TRP 22 HE3 TRP 22 12.744 -1.058 4.397 153 HZ2 TRP 22 HZ2 TRP 22 11.817 -1.220 9.270 154 HZ3 TRP 22 HZ3 TRP 22 13.975 0.459 5.956 155 HH2 TRP 22 HH2 TRP 22 13.508 0.371 8.394 156 H TYR 23 HN TYR 23 9.133 -2.431 0.944 157 HA TYR 23 HA TYR 23 11.432 -2.824 -0.741 158 1HB TYR 23 HB2 TYR 23 9.262 -3.819 -1.290 159 2HB TYR 23 HB1 TYR 23 8.562 -2.221 -1.528 160 HD1 TYR 23 HD1 TYR 23 11.900 -3.609 -2.512 161 HD2 TYR 23 HD2 TYR 23 8.139 -2.009 -3.834 162 HE1 TYR 23 HE1 TYR 23 12.721 -3.611 -4.850 163 HE2 TYR 23 HE2 TYR 23 8.962 -2.011 -6.174 164 HH TYR 23 HH TYR 23 10.998 -2.040 -7.407 165 H VAL 24 HN VAL 24 9.429 -0.020 0.069 166 HA VAL 24 HA VAL 24 10.626 1.651 -1.991 167 HB VAL 24 HB VAL 24 9.232 2.427 0.582 168 1HG1 VAL 24 HG12 VAL 24 10.869 4.116 -0.271 169 2HG1 VAL 24 HG11 VAL 24 9.999 4.136 -1.806 170 3HG1 VAL 24 HG13 VAL 24 9.202 4.688 -0.331 171 1HG2 VAL 24 HG22 VAL 24 7.850 1.251 -1.176 172 2HG2 VAL 24 HG21 VAL 24 7.322 2.899 -0.837 173 3HG2 VAL 24 HG23 VAL 24 8.261 2.556 -2.289 174 H SER 25 HN SER 25 11.178 1.034 1.465 175 HA SER 25 HA SER 25 13.213 2.929 1.909 176 1HB SER 25 HB2 SER 25 13.767 0.337 3.161 177 2HB SER 25 HB1 SER 25 13.454 1.902 3.904 178 HG SER 25 HG SER 25 11.590 1.033 4.356 179 H THR 26 HN THR 26 13.456 -0.330 0.484 180 HA THR 26 HA THR 26 16.355 -0.212 0.255 181 HB THR 26 HB THR 26 14.234 -2.083 -0.796 182 HG1 THR 26 HG1 THR 26 15.157 -3.438 0.671 183 1HG2 THR 26 HG23 THR 26 17.218 -2.176 -1.336 184 2HG2 THR 26 HG22 THR 26 16.099 -3.500 -1.656 185 3HG2 THR 26 HG21 THR 26 15.944 -1.981 -2.538 186 H ARG 27 HN ARG 27 13.751 -0.088 -2.206 187 HA ARG 27 HA ARG 27 15.469 0.413 -4.404 188 1HB ARG 27 HB2 ARG 27 13.101 -0.212 -4.670 189 2HB ARG 27 HB1 ARG 27 12.613 1.346 -4.004 190 1HG ARG 27 HG2 ARG 27 13.655 2.525 -5.852 191 2HG ARG 27 HG1 ARG 27 14.324 1.018 -6.482 192 1HD ARG 27 HD2 ARG 27 11.448 0.815 -6.079 193 2HD ARG 27 HD1 ARG 27 11.855 2.143 -7.165 194 HE ARG 27 HE ARG 27 13.120 -0.483 -7.704 195 1HH1 ARG 27 HH11 ARG 27 10.105 0.898 -8.129 196 2HH1 ARG 27 HH12 ARG 27 10.092 0.780 -9.857 197 1HH2 ARG 27 HH21 ARG 27 13.413 -0.191 -10.082 198 2HH2 ARG 27 HH22 ARG 27 11.964 0.164 -10.961 199 H THR 28 HN THR 28 14.366 2.537 -1.876 200 HA THR 28 HA THR 28 15.166 4.933 -3.400 201 HB THR 28 HB THR 28 14.241 6.181 -1.480 202 HG1 THR 28 HG1 THR 28 14.287 3.628 -0.380 203 1HG2 THR 28 HG22 THR 28 12.855 4.483 -3.252 204 2HG2 THR 28 HG21 THR 28 12.053 4.329 -1.690 205 3HG2 THR 28 HG23 THR 28 12.234 5.916 -2.435 206 H CYS 29 HN CYS 29 15.951 3.907 -0.019 207 HA CYS 29 HA CYS 29 18.585 5.223 -0.366 208 1HB CYS 29 HB2 CYS 29 17.109 4.260 2.101 209 2HB CYS 29 HB1 CYS 29 18.723 4.970 2.129 210 H GLY 30 HN GLY 30 17.652 2.406 -1.266 211 1HA GLY 30 HA2 GLY 30 18.640 0.271 -1.415 212 2HA GLY 30 HA1 GLY 30 20.144 1.077 -0.970 213 H VAL 31 HN VAL 31 17.605 1.486 1.302 214 HA VAL 31 HA VAL 31 18.982 -0.422 3.135 215 HB VAL 31 HB VAL 31 17.095 1.890 3.685 216 1HG1 VAL 31 HG12 VAL 31 18.140 -0.331 5.379 217 2HG1 VAL 31 HG11 VAL 31 18.105 1.280 6.095 218 3HG1 VAL 31 HG13 VAL 31 16.616 0.550 5.496 219 1HG2 VAL 31 HG22 VAL 31 19.557 2.278 2.991 220 2HG2 VAL 31 HG21 VAL 31 19.010 3.042 4.483 221 3HG2 VAL 31 HG23 VAL 31 19.972 1.565 4.550 222 H GLY 32 HN GLY 32 17.642 -1.877 4.442 223 1HA GLY 32 HA2 GLY 32 15.049 -2.346 4.707 224 2HA GLY 32 HA1 GLY 32 15.212 -2.646 2.972 225 HA PRO 33 HA PRO 33 16.421 -6.503 5.466 226 1HB PRO 33 HB2 PRO 33 14.525 -8.224 4.397 227 2HB PRO 33 HB1 PRO 33 14.323 -7.339 5.918 228 1HG PRO 33 HG2 PRO 33 13.168 -6.752 3.217 229 2HG PRO 33 HG1 PRO 33 12.463 -6.493 4.824 230 1HD PRO 33 HD2 PRO 33 13.554 -4.482 3.304 231 2HD PRO 33 HD1 PRO 33 13.454 -4.440 5.081 232 H ARG 34 HN ARG 34 17.011 -8.741 4.247 233 HA ARG 34 HA ARG 34 18.350 -7.893 1.765 234 1HB ARG 34 HB2 ARG 34 19.548 -10.053 1.978 235 2HB ARG 34 HB1 ARG 34 19.650 -9.103 3.461 236 1HG ARG 34 HG2 ARG 34 17.282 -10.814 3.409 237 2HG ARG 34 HG1 ARG 34 18.778 -11.740 3.274 238 1HD ARG 34 HD2 ARG 34 19.391 -11.276 5.410 239 2HD ARG 34 HD1 ARG 34 18.899 -9.588 5.277 240 HE ARG 34 HE ARG 34 16.777 -10.183 6.152 241 1HH1 ARG 34 HH21 ARG 34 15.604 -12.241 4.721 242 2HH1 ARG 34 HH22 ARG 34 15.843 -13.688 5.645 243 1HH2 ARG 34 HH11 ARG 34 18.393 -12.349 7.576 244 2HH2 ARG 34 HH12 ARG 34 17.422 -13.748 7.261 245 H LEU 35 HN LEU 35 16.380 -7.803 0.481 246 HA LEU 35 HA LEU 35 15.674 -10.482 -0.611 247 1HB LEU 35 HB2 LEU 35 13.848 -9.789 0.928 248 2HB LEU 35 HB1 LEU 35 13.667 -8.290 0.014 249 HG LEU 35 HG LEU 35 13.022 -9.498 -1.974 250 1HD1 LEU 35 HD13 LEU 35 13.896 -11.892 -0.359 251 2HD1 LEU 35 HD12 LEU 35 12.790 -12.068 -1.720 252 3HD1 LEU 35 HD11 LEU 35 14.407 -11.413 -1.978 253 1HD2 LEU 35 HD21 LEU 35 11.674 -10.262 0.600 254 2HD2 LEU 35 HD23 LEU 35 11.087 -9.222 -0.698 255 3HD2 LEU 35 HD22 LEU 35 11.106 -10.973 -0.911 256 H ALA 36 HN ALA 36 15.901 -10.450 -2.814 257 HA ALA 36 HA ALA 36 16.894 -8.242 -4.232 258 1HB ALA 36 HB2 ALA 36 15.275 -10.596 -5.242 259 2HB ALA 36 HB1 ALA 36 16.113 -9.454 -6.294 260 3HB ALA 36 HB3 ALA 36 17.033 -10.464 -5.180 261 H THR 37 HN THR 37 15.781 -6.938 -5.950 262 HA THR 37 HA THR 37 13.414 -5.667 -4.918 263 HB THR 37 HB THR 37 13.448 -4.670 -7.356 264 HG1 THR 37 HG1 THR 37 14.875 -5.641 -8.531 265 1HG2 THR 37 HG22 THR 37 14.725 -4.051 -4.929 266 2HG2 THR 37 HG21 THR 37 15.956 -3.847 -6.174 267 3HG2 THR 37 HG23 THR 37 14.435 -2.960 -6.283 268 H GLN 38 HN GLN 38 13.821 -7.453 -8.013 269 HA GLN 38 HA GLN 38 11.165 -7.615 -8.770 270 1HB GLN 38 HB2 GLN 38 13.392 -8.761 -9.726 271 2HB GLN 38 HB1 GLN 38 12.689 -10.173 -8.935 272 1HG GLN 38 HG2 GLN 38 10.537 -8.939 -10.246 273 2HG GLN 38 HG1 GLN 38 11.874 -8.863 -11.395 274 1HE2 GLN 38 HE22 GLN 38 10.142 -12.189 -11.730 275 2HE2 GLN 38 HE21 GLN 38 9.615 -10.579 -11.834 276 H GLU 39 HN GLU 39 12.762 -10.068 -6.700 277 HA GLU 39 HA GLU 39 10.522 -11.605 -6.061 278 1HB GLU 39 HB2 GLU 39 12.792 -10.796 -4.218 279 2HB GLU 39 HB1 GLU 39 11.684 -12.139 -3.930 280 1HG GLU 39 HG2 GLU 39 13.421 -11.887 -6.400 281 2HG GLU 39 HG1 GLU 39 13.864 -12.832 -4.978 282 H MET 40 HN MET 40 11.593 -8.582 -4.505 283 HA MET 40 HA MET 40 9.611 -8.497 -2.470 284 1HB MET 40 HB2 MET 40 11.678 -6.928 -2.997 285 2HB MET 40 HB1 MET 40 10.479 -5.996 -3.884 286 1HG MET 40 HG2 MET 40 10.487 -6.671 -0.938 287 2HG MET 40 HG1 MET 40 10.511 -5.077 -1.683 288 1HE MET 40 HE1 MET 40 9.005 -4.844 -3.685 289 2HE MET 40 HE3 MET 40 7.304 -5.323 -3.778 290 3HE MET 40 HE2 MET 40 7.785 -3.957 -2.776 291 H LYS 41 HN LYS 41 9.624 -6.699 -5.551 292 HA LYS 41 HA LYS 41 7.048 -5.742 -5.648 293 1HB LYS 41 HB2 LYS 41 8.782 -5.540 -7.473 294 2HB LYS 41 HB1 LYS 41 8.339 -7.167 -7.992 295 1HG LYS 41 HG2 LYS 41 5.923 -6.293 -8.104 296 2HG LYS 41 HG1 LYS 41 6.627 -4.679 -7.986 297 1HD LYS 41 HD2 LYS 41 8.198 -5.687 -9.930 298 2HD LYS 41 HD1 LYS 41 6.737 -6.631 -10.227 299 1HE LYS 41 HE2 LYS 41 5.484 -4.778 -10.799 300 2HE LYS 41 HE1 LYS 41 6.424 -3.695 -9.772 301 1HZ LYS 41 HZ1 LYS 41 7.839 -4.928 -11.995 302 2HZ LYS 41 HZ3 LYS 41 6.673 -3.767 -12.405 303 3HZ LYS 41 HZ2 LYS 41 7.955 -3.353 -11.370 304 H ALA 42 HN ALA 42 8.073 -9.079 -5.994 305 HA ALA 42 HA ALA 42 5.555 -10.134 -6.907 306 1HB ALA 42 HB1 ALA 42 8.143 -11.177 -6.061 307 2HB ALA 42 HB3 ALA 42 6.812 -12.168 -5.466 308 3HB ALA 42 HB2 ALA 42 6.979 -11.862 -7.195 309 H ARG 43 HN ARG 43 7.061 -10.035 -3.639 310 HA ARG 43 HA ARG 43 4.849 -11.204 -2.295 311 1HB ARG 43 HB2 ARG 43 5.726 -9.873 -0.270 312 2HB ARG 43 HB1 ARG 43 6.825 -11.036 -1.012 313 1HG ARG 43 HG2 ARG 43 7.989 -9.302 -2.192 314 2HG ARG 43 HG1 ARG 43 6.780 -8.103 -1.749 315 1HD ARG 43 HD2 ARG 43 9.150 -8.792 -0.330 316 2HD ARG 43 HD1 ARG 43 7.911 -7.635 0.142 317 HE ARG 43 HE ARG 43 6.745 -9.607 1.249 318 1HH1 ARG 43 HH21 ARG 43 9.316 -11.088 -0.073 319 2HH1 ARG 43 HH22 ARG 43 10.074 -11.592 1.401 320 1HH2 ARG 43 HH11 ARG 43 8.052 -9.626 3.420 321 2HH2 ARG 43 HH12 ARG 43 9.357 -10.764 3.381 322 H CYS 44 HN CYS 44 5.499 -7.771 -3.086 323 HA CYS 44 HA CYS 44 3.215 -6.755 -1.673 324 1HB CYS 44 HB2 CYS 44 4.902 -5.686 -3.908 325 2HB CYS 44 HB1 CYS 44 3.392 -4.877 -3.480 326 H CYS 45 HN CYS 45 3.584 -8.041 -4.999 327 HA CYS 45 HA CYS 45 0.931 -7.220 -5.817 328 1HB CYS 45 HB2 CYS 45 2.924 -9.212 -6.890 329 2HB CYS 45 HB1 CYS 45 1.294 -9.136 -7.548 330 H ARG 46 HN ARG 46 2.228 -10.038 -4.152 331 HA ARG 46 HA ARG 46 -0.205 -11.601 -4.387 332 1HB ARG 46 HB2 ARG 46 2.226 -12.339 -3.722 333 2HB ARG 46 HB1 ARG 46 1.731 -11.891 -2.099 334 1HG ARG 46 HG2 ARG 46 -0.390 -13.403 -3.267 335 2HG ARG 46 HG1 ARG 46 1.114 -14.294 -3.501 336 1HD ARG 46 HD2 ARG 46 1.494 -14.529 -1.230 337 2HD ARG 46 HD1 ARG 46 0.607 -13.060 -0.823 338 HE ARG 46 HE ARG 46 -1.334 -14.379 -0.632 339 1HH1 ARG 46 HH11 ARG 46 1.123 -16.518 -1.000 340 2HH1 ARG 46 HH12 ARG 46 0.219 -17.741 -1.831 341 1HH2 ARG 46 HH21 ARG 46 -2.539 -15.713 -2.368 342 2HH2 ARG 46 HH22 ARG 46 -1.851 -17.286 -2.603 343 H GLN 47 HN GLN 47 1.062 -9.192 -2.177 344 HA GLN 47 HA GLN 47 -1.034 -9.565 -0.183 345 1HB GLN 47 HB2 GLN 47 0.692 -7.107 -0.524 346 2HB GLN 47 HB1 GLN 47 -0.035 -7.732 0.958 347 1HG GLN 47 HG2 GLN 47 1.569 -9.811 -0.172 348 2HG GLN 47 HG1 GLN 47 2.540 -8.338 -0.133 349 1HE2 GLN 47 HE22 GLN 47 2.142 -8.036 3.506 350 2HE2 GLN 47 HE21 GLN 47 1.994 -7.052 2.130 351 H LEU 48 HN LEU 48 -0.593 -7.596 -3.055 352 HA LEU 48 HA LEU 48 -2.791 -5.791 -2.463 353 1HB LEU 48 HB2 LEU 48 -0.856 -5.313 -4.062 354 2HB LEU 48 HB1 LEU 48 -1.643 -6.407 -5.200 355 HG LEU 48 HG LEU 48 -3.606 -4.590 -4.161 356 1HD1 LEU 48 HD11 LEU 48 -1.165 -3.362 -4.050 357 2HD1 LEU 48 HD13 LEU 48 -1.662 -2.978 -5.699 358 3HD1 LEU 48 HD12 LEU 48 -2.684 -2.513 -4.338 359 1HD2 LEU 48 HD22 LEU 48 -2.416 -5.391 -6.780 360 2HD2 LEU 48 HD21 LEU 48 -4.099 -5.421 -6.258 361 3HD2 LEU 48 HD23 LEU 48 -3.353 -3.898 -6.740 362 H GLU 49 HN GLU 49 -2.372 -8.801 -4.301 363 HA GLU 49 HA GLU 49 -5.069 -8.812 -5.346 364 1HB GLU 49 HB2 GLU 49 -2.749 -10.451 -5.575 365 2HB GLU 49 HB1 GLU 49 -4.053 -11.484 -4.990 366 1HG GLU 49 HG2 GLU 49 -5.495 -10.776 -6.824 367 2HG GLU 49 HG1 GLU 49 -4.269 -9.638 -7.384 368 H ALA 50 HN ALA 50 -3.510 -10.569 -2.620 369 HA ALA 50 HA ALA 50 -5.788 -11.818 -1.552 370 1HB ALA 50 HB3 ALA 50 -3.527 -10.431 -0.065 371 2HB ALA 50 HB2 ALA 50 -4.699 -11.510 0.694 372 3HB ALA 50 HB1 ALA 50 -3.587 -12.131 -0.527 373 H ILE 51 HN ILE 51 -4.561 -8.555 -0.864 374 HA ILE 51 HA ILE 51 -6.785 -7.611 0.648 375 HB ILE 51 HB ILE 51 -4.809 -6.168 -1.148 376 1HG1 ILE 51 HG12 ILE 51 -3.917 -7.331 0.882 377 2HG1 ILE 51 HG11 ILE 51 -3.724 -5.580 0.954 378 1HG2 ILE 51 HG22 ILE 51 -7.231 -5.146 -0.365 379 2HG2 ILE 51 HG21 ILE 51 -6.190 -4.651 0.970 380 3HG2 ILE 51 HG23 ILE 51 -5.791 -4.178 -0.681 381 1HD1 ILE 51 HD12 ILE 51 -6.298 -6.344 2.028 382 2HD1 ILE 51 HD11 ILE 51 -5.008 -7.221 2.852 383 3HD1 ILE 51 HD13 ILE 51 -4.990 -5.457 2.810 384 HA PRO 52 HA PRO 52 -9.477 -8.072 -2.925 385 1HB PRO 52 HB2 PRO 52 -11.794 -7.470 -1.548 386 2HB PRO 52 HB1 PRO 52 -11.049 -9.077 -1.612 387 1HG PRO 52 HG2 PRO 52 -10.967 -7.048 0.596 388 2HG PRO 52 HG1 PRO 52 -10.971 -8.819 0.697 389 1HD PRO 52 HD2 PRO 52 -8.694 -7.270 1.012 390 2HD PRO 52 HD1 PRO 52 -8.673 -8.966 0.482 391 H ALA 53 HN ALA 53 -10.098 -6.601 -4.398 392 HA ALA 53 HA ALA 53 -9.368 -4.016 -4.575 393 1HB ALA 53 HB3 ALA 53 -11.299 -5.632 -5.882 394 2HB ALA 53 HB2 ALA 53 -12.053 -4.068 -5.576 395 3HB ALA 53 HB1 ALA 53 -10.541 -4.156 -6.479 396 H TYR 54 HN TYR 54 -12.220 -5.093 -2.756 397 HA TYR 54 HA TYR 54 -13.185 -2.436 -2.196 398 1HB TYR 54 HB2 TYR 54 -13.755 -5.178 -1.268 399 2HB TYR 54 HB1 TYR 54 -14.038 -3.927 -0.057 400 HD1 TYR 54 HD2 TYR 54 -15.612 -2.057 -0.522 401 HD2 TYR 54 HD1 TYR 54 -15.119 -5.337 -3.251 402 HE1 TYR 54 HE2 TYR 54 -17.714 -1.417 -1.672 403 HE2 TYR 54 HE1 TYR 54 -17.220 -4.697 -4.401 404 HH TYR 54 HH TYR 54 -19.317 -2.173 -3.126 405 H CYS 55 HN CYS 55 -12.079 -0.952 -1.038 406 HA CYS 55 HA CYS 55 -10.886 -0.024 0.776 407 1HB CYS 55 HB2 CYS 55 -10.556 -2.811 1.895 408 2HB CYS 55 HB1 CYS 55 -10.510 -1.274 2.753 409 H ARG 56 HN ARG 56 -9.785 -2.230 -1.483 410 HA ARG 56 HA ARG 56 -7.241 -3.046 -0.862 411 1HB ARG 56 HB2 ARG 56 -8.591 -2.228 -3.304 412 2HB ARG 56 HB1 ARG 56 -6.881 -1.808 -3.362 413 1HG ARG 56 HG2 ARG 56 -6.653 -4.293 -2.361 414 2HG ARG 56 HG1 ARG 56 -8.166 -4.496 -3.246 415 1HD ARG 56 HD2 ARG 56 -6.758 -3.180 -5.125 416 2HD ARG 56 HD1 ARG 56 -5.423 -3.960 -4.277 417 HE ARG 56 HE ARG 56 -6.988 -6.101 -4.656 418 1HH1 ARG 56 HH11 ARG 56 -5.321 -4.012 -6.690 419 2HH1 ARG 56 HH12 ARG 56 -5.973 -4.646 -8.164 420 1HH2 ARG 56 HH21 ARG 56 -8.299 -6.668 -6.579 421 2HH2 ARG 56 HH22 ARG 56 -7.664 -6.140 -8.102 422 H CYS 57 HN CYS 57 -7.222 -0.084 -2.796 423 HA CYS 57 HA CYS 57 -4.893 1.071 -2.052 424 1HB CYS 57 HB2 CYS 57 -7.585 2.360 -2.420 425 2HB CYS 57 HB1 CYS 57 -6.165 3.341 -2.053 426 H GLU 58 HN GLU 58 -7.830 1.750 -0.050 427 HA GLU 58 HA GLU 58 -7.047 3.234 1.997 428 1HB GLU 58 HB2 GLU 58 -8.124 0.487 2.649 429 2HB GLU 58 HB1 GLU 58 -8.415 1.998 3.510 430 1HG GLU 58 HG2 GLU 58 -9.410 1.239 0.750 431 2HG GLU 58 HG1 GLU 58 -10.379 1.538 2.192 432 H ALA 59 HN ALA 59 -6.087 -0.224 1.961 433 HA ALA 59 HA ALA 59 -4.560 -0.456 4.206 434 1HB ALA 59 HB1 ALA 59 -4.674 -1.811 1.758 435 2HB ALA 59 HB3 ALA 59 -2.970 -1.416 1.983 436 3HB ALA 59 HB2 ALA 59 -3.831 -2.339 3.215 437 H VAL 60 HN VAL 60 -3.105 0.705 1.176 438 HA VAL 60 HA VAL 60 -0.619 1.515 2.073 439 HB VAL 60 HB VAL 60 -2.379 3.211 0.277 440 1HG1 VAL 60 HG13 VAL 60 0.347 3.405 1.179 441 2HG1 VAL 60 HG12 VAL 60 0.335 3.082 -0.555 442 3HG1 VAL 60 HG11 VAL 60 -0.529 4.479 0.088 443 1HG2 VAL 60 HG23 VAL 60 -0.696 0.755 -0.305 444 2HG2 VAL 60 HG22 VAL 60 -2.433 0.935 -0.544 445 3HG2 VAL 60 HG21 VAL 60 -1.308 1.837 -1.555 446 H ARG 61 HN ARG 61 -3.594 3.482 2.204 447 HA ARG 61 HA ARG 61 -2.530 5.706 3.581 448 1HB ARG 61 HB2 ARG 61 -5.112 4.757 2.874 449 2HB ARG 61 HB1 ARG 61 -5.155 5.096 4.605 450 1HG ARG 61 HG2 ARG 61 -5.002 7.332 4.281 451 2HG ARG 61 HG1 ARG 61 -3.736 7.150 3.066 452 1HD ARG 61 HD2 ARG 61 -5.866 8.126 2.155 453 2HD ARG 61 HD1 ARG 61 -5.371 6.635 1.352 454 HE ARG 61 HE ARG 61 -7.207 5.499 2.403 455 1HH1 ARG 61 HH11 ARG 61 -6.883 7.174 4.996 456 2HH1 ARG 61 HH12 ARG 61 -8.415 7.982 5.031 457 1HH2 ARG 61 HH21 ARG 61 -9.185 7.229 1.734 458 2HH2 ARG 61 HH22 ARG 61 -9.718 8.012 3.184 459 H ILE 62 HN ILE 62 -4.356 3.027 5.094 460 HA ILE 62 HA ILE 62 -3.903 3.518 7.753 461 HB ILE 62 HB ILE 62 -3.836 0.910 6.225 462 1HG1 ILE 62 HG12 ILE 62 -6.017 1.847 6.268 463 2HG1 ILE 62 HG11 ILE 62 -6.021 0.644 7.555 464 1HG2 ILE 62 HG22 ILE 62 -3.340 1.413 9.136 465 2HG2 ILE 62 HG21 ILE 62 -4.259 -0.017 8.667 466 3HG2 ILE 62 HG23 ILE 62 -2.616 0.211 8.067 467 1HD1 ILE 62 HD13 ILE 62 -5.157 2.821 8.934 468 2HD1 ILE 62 HD12 ILE 62 -6.181 3.598 7.727 469 3HD1 ILE 62 HD11 ILE 62 -6.856 2.369 8.797 470 H LEU 63 HN LEU 63 -1.459 2.545 5.432 471 HA LEU 63 HA LEU 63 0.465 1.887 7.518 472 1HB LEU 63 HB2 LEU 63 0.457 1.080 5.039 473 2HB LEU 63 HB1 LEU 63 1.225 2.632 4.701 474 HG LEU 63 HG LEU 63 2.912 0.865 5.081 475 1HD1 LEU 63 HD13 LEU 63 2.991 3.378 6.002 476 2HD1 LEU 63 HD12 LEU 63 3.084 2.535 7.548 477 3HD1 LEU 63 HD11 LEU 63 4.301 2.238 6.306 478 1HD2 LEU 63 HD23 LEU 63 1.186 -0.161 6.891 479 2HD2 LEU 63 HD22 LEU 63 2.914 -0.510 6.923 480 3HD2 LEU 63 HD21 LEU 63 2.246 0.734 7.979 481 H MET 64 HN MET 64 -0.037 4.664 5.338 482 HA MET 64 HA MET 64 2.128 6.173 6.548 483 1HB MET 64 HB2 MET 64 1.300 6.590 4.231 484 2HB MET 64 HB1 MET 64 -0.223 7.181 4.900 485 1HG MET 64 HG2 MET 64 0.721 9.219 5.059 486 2HG MET 64 HG1 MET 64 1.796 8.564 6.295 487 1HE MET 64 HE3 MET 64 3.947 8.306 6.262 488 2HE MET 64 HE2 MET 64 5.101 8.764 5.012 489 3HE MET 64 HE1 MET 64 4.065 9.990 5.738 490 H ASP 65 HN ASP 65 -1.456 6.511 6.766 491 HA ASP 65 HA ASP 65 -1.149 8.388 8.987 492 1HB ASP 65 HB2 ASP 65 -3.582 7.292 7.541 493 2HB ASP 65 HB1 ASP 65 -3.744 8.102 9.099 494 H GLY 66 HN GLY 66 -1.472 4.950 8.679 495 1HA GLY 66 HA2 GLY 66 -1.208 3.393 10.454 496 2HA GLY 66 HA1 GLY 66 -1.349 4.724 11.603 497 H VAL 67 HN VAL 67 -2.762 2.138 11.604 498 HA VAL 67 HA VAL 67 -5.575 3.117 11.351 499 HB VAL 67 HB VAL 67 -5.134 1.221 9.861 500 1HG1 VAL 67 HG11 VAL 67 -3.852 0.178 12.321 501 2HG1 VAL 67 HG13 VAL 67 -4.761 -0.999 11.371 502 3HG1 VAL 67 HG12 VAL 67 -3.434 -0.104 10.630 503 1HG2 VAL 67 HG22 VAL 67 -7.282 1.483 11.338 504 2HG2 VAL 67 HG21 VAL 67 -7.027 -0.019 10.450 505 3HG2 VAL 67 HG23 VAL 67 -6.658 0.060 12.173 506 H VAL 68 HN VAL 68 -7.060 2.297 13.012 507 HA VAL 68 HA VAL 68 -5.640 1.821 15.594 508 HB VAL 68 HB VAL 68 -8.123 3.392 14.915 509 1HG1 VAL 68 HG11 VAL 68 -8.683 1.832 16.780 510 2HG1 VAL 68 HG13 VAL 68 -7.299 2.450 17.682 511 3HG1 VAL 68 HG12 VAL 68 -8.652 3.516 17.305 512 1HG2 VAL 68 HG22 VAL 68 -5.792 4.410 15.024 513 2HG2 VAL 68 HG21 VAL 68 -6.983 5.149 16.097 514 3HG2 VAL 68 HG23 VAL 68 -5.792 4.020 16.743 515 H THR 69 HN THR 69 -6.778 0.455 17.123 516 HA THR 69 HA THR 69 -8.473 -1.587 15.766 517 HB THR 69 HB THR 69 -7.515 -3.166 17.493 518 HG1 THR 69 HG1 THR 69 -6.038 -2.453 18.837 519 1HG2 THR 69 HG23 THR 69 -6.659 -2.938 15.137 520 2HG2 THR 69 HG22 THR 69 -5.439 -1.821 15.749 521 3HG2 THR 69 HG21 THR 69 -5.449 -3.500 16.291 522 H SER 70 HN SER 70 -10.034 -2.656 17.153 523 HA SER 70 HA SER 70 -11.632 -0.848 18.647 524 1HB SER 70 HB2 SER 70 -12.479 -2.900 17.521 525 2HB SER 70 HB1 SER 70 -11.654 -3.873 18.735 526 HG SER 70 HG SER 70 -13.149 -3.374 20.144 527 H SER 71 HN SER 71 -9.137 -3.073 19.610 528 HA SER 71 HA SER 71 -9.706 -3.020 22.439 529 1HB SER 71 HB2 SER 71 -7.201 -3.720 22.543 530 2HB SER 71 HB1 SER 71 -8.344 -4.818 21.776 531 HG SER 71 HG SER 71 -7.044 -4.639 20.132 532 H GLY 72 HN GLY 72 -8.377 -0.726 20.303 533 1HA GLY 72 HA2 GLY 72 -7.992 1.576 21.036 534 2HA GLY 72 HA1 GLY 72 -7.549 0.940 22.624 535 H GLN 73 HN GLN 73 -6.226 -1.004 20.181 536 HA GLN 73 HA GLN 73 -3.544 0.122 20.745 537 1HB GLN 73 HB2 GLN 73 -4.172 -2.304 19.057 538 2HB GLN 73 HB1 GLN 73 -2.682 -1.938 19.928 539 1HG GLN 73 HG2 GLN 73 -3.833 -2.191 22.071 540 2HG GLN 73 HG1 GLN 73 -5.365 -2.464 21.241 541 1HE2 GLN 73 HE22 GLN 73 -2.770 -5.423 20.227 542 2HE2 GLN 73 HE21 GLN 73 -2.462 -3.806 19.812 543 H HIS 74 HN HIS 74 -2.040 0.564 18.953 544 HA HIS 74 HA HIS 74 -3.479 1.409 16.474 545 1HB HIS 74 HB2 HIS 74 -1.154 2.598 17.972 546 2HB HIS 74 HB1 HIS 74 -1.424 2.963 16.282 547 HD1 HIS 74 HD1 HIS 74 -2.161 5.393 16.587 548 HD2 HIS 74 HD2 HIS 74 -4.427 2.719 18.844 549 HE1 HIS 74 HE1 HIS 74 -4.107 6.715 17.524 550 H GLU 75 HN GLU 75 -2.242 1.148 14.485 551 HA GLU 75 HA GLU 75 0.144 -0.603 14.658 552 1HB GLU 75 HB2 GLU 75 -2.265 -1.336 12.972 553 2HB GLU 75 HB1 GLU 75 -0.778 -2.268 13.156 554 1HG GLU 75 HG2 GLU 75 -2.594 -1.569 15.475 555 2HG GLU 75 HG1 GLU 75 -2.711 -3.080 14.572 556 H GLY 76 HN GLY 76 0.837 -1.086 12.217 557 1HA GLY 76 HA2 GLY 76 1.704 -0.149 10.256 558 2HA GLY 76 HA1 GLY 76 0.184 0.740 10.151 559 H ARG 77 HN ARG 77 1.138 2.692 9.499 560 HA ARG 77 HA ARG 77 2.136 4.790 9.828 561 1HB ARG 77 HB2 ARG 77 0.695 4.602 11.919 562 2HB ARG 77 HB1 ARG 77 2.150 4.077 12.767 563 1HG ARG 77 HG2 ARG 77 2.948 6.184 12.882 564 2HG ARG 77 HG1 ARG 77 2.640 6.463 11.168 565 1HD ARG 77 HD2 ARG 77 1.223 8.013 12.245 566 2HD ARG 77 HD1 ARG 77 0.151 6.666 11.858 567 HE ARG 77 HE ARG 77 0.262 5.988 14.216 568 1HH1 ARG 77 HH21 ARG 77 2.943 7.562 14.552 569 2HH1 ARG 77 HH22 ARG 77 2.419 8.802 15.643 570 1HH2 ARG 77 HH11 ARG 77 -0.957 8.201 15.118 571 2HH2 ARG 77 HH12 ARG 77 0.208 9.164 15.963 572 H LEU 78 HN LEU 78 3.822 2.148 9.818 573 HA LEU 78 HA LEU 78 6.180 2.895 11.368 574 1HB LEU 78 HB2 LEU 78 5.951 0.802 9.186 575 2HB LEU 78 HB1 LEU 78 7.189 0.903 10.439 576 HG LEU 78 HG LEU 78 4.807 0.941 11.872 577 1HD1 LEU 78 HD12 LEU 78 3.578 0.298 9.828 578 2HD1 LEU 78 HD11 LEU 78 4.637 -1.098 9.632 579 3HD1 LEU 78 HD13 LEU 78 3.552 -1.002 11.017 580 1HD2 LEU 78 HD22 LEU 78 6.653 -1.361 11.166 581 2HD2 LEU 78 HD21 LEU 78 6.829 -0.253 12.526 582 3HD2 LEU 78 HD23 LEU 78 5.483 -1.392 12.485 583 H LEU 79 HN LEU 79 4.956 3.599 8.197 584 HA LEU 79 HA LEU 79 7.446 4.069 6.856 585 1HB LEU 79 HB2 LEU 79 4.816 4.146 6.115 586 2HB LEU 79 HB1 LEU 79 5.193 5.867 6.194 587 HG LEU 79 HG LEU 79 7.367 4.478 4.923 588 1HD1 LEU 79 HD11 LEU 79 5.242 2.956 4.482 589 2HD1 LEU 79 HD13 LEU 79 4.851 4.216 3.313 590 3HD1 LEU 79 HD12 LEU 79 6.366 3.323 3.172 591 1HD2 LEU 79 HD21 LEU 79 5.379 6.635 4.267 592 2HD2 LEU 79 HD23 LEU 79 7.132 6.749 4.425 593 3HD2 LEU 79 HD22 LEU 79 6.422 6.006 2.992 594 H GLN 80 HN GLN 80 8.793 5.180 8.390 595 HA GLN 80 HA GLN 80 8.094 8.066 8.670 596 1HB GLN 80 HB2 GLN 80 9.421 6.514 10.892 597 2HB GLN 80 HB1 GLN 80 8.672 8.109 10.969 598 1HG GLN 80 HG2 GLN 80 6.471 7.178 10.703 599 2HG GLN 80 HG1 GLN 80 7.129 5.585 10.326 600 1HE2 GLN 80 HE22 GLN 80 8.039 6.606 14.167 601 2HE2 GLN 80 HE21 GLN 80 8.575 7.560 12.870 602 H ASP 81 HN ASP 81 10.150 9.198 9.618 603 HA ASP 81 HA ASP 81 12.117 9.419 7.748 604 1HB ASP 81 HB2 ASP 81 12.296 9.675 10.757 605 2HB ASP 81 HB1 ASP 81 13.674 10.034 9.715 606 H LEU 82 HN LEU 82 13.697 8.214 6.972 607 HA LEU 82 HA LEU 82 14.743 5.892 8.530 608 1HB LEU 82 HB2 LEU 82 13.843 6.077 5.652 609 2HB LEU 82 HB1 LEU 82 15.078 4.910 6.105 610 HG LEU 82 HG LEU 82 12.359 5.124 7.434 611 1HD1 LEU 82 HD13 LEU 82 13.410 3.264 5.285 612 2HD1 LEU 82 HD12 LEU 82 11.963 2.926 6.234 613 3HD1 LEU 82 HD11 LEU 82 12.016 4.340 5.180 614 1HD2 LEU 82 HD23 LEU 82 14.671 4.025 8.423 615 2HD2 LEU 82 HD22 LEU 82 13.050 3.474 8.851 616 3HD2 LEU 82 HD21 LEU 82 13.958 2.644 7.589 617 HA PRO 83 HA PRO 83 18.676 7.604 7.714 618 1HB PRO 83 HB2 PRO 83 20.195 5.498 6.769 619 2HB PRO 83 HB1 PRO 83 19.777 5.750 8.472 620 1HG PRO 83 HG2 PRO 83 18.589 3.826 6.506 621 2HG PRO 83 HG1 PRO 83 18.796 3.656 8.259 622 1HD PRO 83 HD2 PRO 83 16.384 4.280 7.038 623 2HD PRO 83 HD1 PRO 83 16.772 4.675 8.722 624 H GLY 84 HN GLY 84 18.331 9.061 6.079 625 1HA GLY 84 HA2 GLY 84 19.009 9.948 3.978 626 2HA GLY 84 HA1 GLY 84 19.300 8.309 3.385 627 H CYS 85 HN CYS 85 16.350 7.974 4.792 628 HA CYS 85 HA CYS 85 14.932 8.856 2.312 629 1HB CYS 85 HB2 CYS 85 14.747 6.322 3.895 630 2HB CYS 85 HB1 CYS 85 13.324 6.904 3.033 631 HA PRO 86 HA PRO 86 12.866 10.955 5.834 632 1HB PRO 86 HB2 PRO 86 12.306 13.257 4.434 633 2HB PRO 86 HB1 PRO 86 13.801 12.988 5.329 634 1HG PRO 86 HG2 PRO 86 13.338 12.939 2.391 635 2HG PRO 86 HG1 PRO 86 14.830 13.287 3.280 636 1HD PRO 86 HD2 PRO 86 14.213 10.865 1.982 637 2HD PRO 86 HD1 PRO 86 15.521 11.103 3.159 638 H ARG 87 HN ARG 87 10.570 11.591 6.051 639 HA ARG 87 HA ARG 87 8.674 10.043 4.763 640 1HB ARG 87 HB2 ARG 87 8.309 12.932 5.620 641 2HB ARG 87 HB1 ARG 87 7.029 11.749 5.403 642 1HG ARG 87 HG2 ARG 87 9.228 10.946 7.211 643 2HG ARG 87 HG1 ARG 87 8.200 12.257 7.789 644 1HD ARG 87 HD2 ARG 87 6.257 10.646 6.970 645 2HD ARG 87 HD1 ARG 87 7.488 9.405 7.205 646 HE ARG 87 HE ARG 87 7.245 9.703 9.530 647 1HH1 ARG 87 HH21 ARG 87 7.833 12.002 10.653 648 2HH1 ARG 87 HH22 ARG 87 6.406 12.974 10.787 649 1HH2 ARG 87 HH11 ARG 87 4.610 11.132 8.461 650 2HH2 ARG 87 HH12 ARG 87 4.582 12.480 9.547 651 H GLN 88 HN GLN 88 10.257 12.943 3.678 652 HA GLN 88 HA GLN 88 8.528 13.792 1.611 653 1HB GLN 88 HB2 GLN 88 10.524 15.041 2.421 654 2HB GLN 88 HB1 GLN 88 11.555 13.887 1.575 655 1HG GLN 88 HG2 GLN 88 11.111 14.798 -0.459 656 2HG GLN 88 HG1 GLN 88 9.401 15.020 -0.086 657 1HE2 GLN 88 HE22 GLN 88 12.003 18.098 0.466 658 2HE2 GLN 88 HE21 GLN 88 12.549 16.576 -0.049 659 H VAL 89 HN VAL 89 11.464 11.749 1.101 660 HA VAL 89 HA VAL 89 10.880 11.188 -1.612 661 HB VAL 89 HB VAL 89 12.428 9.589 0.433 662 1HG1 VAL 89 HG13 VAL 89 12.058 9.342 -2.538 663 2HG1 VAL 89 HG12 VAL 89 13.610 8.911 -1.819 664 3HG1 VAL 89 HG11 VAL 89 12.142 8.068 -1.322 665 1HG2 VAL 89 HG22 VAL 89 12.937 11.966 -1.244 666 2HG2 VAL 89 HG21 VAL 89 13.605 11.526 0.329 667 3HG2 VAL 89 HG23 VAL 89 14.239 10.780 -1.138 668 H GLN 90 HN GLN 90 10.056 9.396 1.344 669 HA GLN 90 HA GLN 90 8.872 7.159 0.021 670 1HB GLN 90 HB2 GLN 90 9.024 8.177 2.724 671 2HB GLN 90 HB1 GLN 90 7.384 7.621 2.380 672 1HG GLN 90 HG2 GLN 90 8.021 5.442 2.231 673 2HG GLN 90 HG1 GLN 90 9.506 5.840 1.369 674 1HE2 GLN 90 HE22 GLN 90 11.338 6.444 4.468 675 2HE2 GLN 90 HE21 GLN 90 11.152 7.123 2.923 676 H ARG 91 HN ARG 91 7.757 10.406 0.627 677 HA ARG 91 HA ARG 91 4.962 9.819 0.004 678 1HB ARG 91 HB2 ARG 91 6.232 11.914 1.242 679 2HB ARG 91 HB1 ARG 91 5.883 12.596 -0.347 680 1HG ARG 91 HG2 ARG 91 3.881 13.061 0.707 681 2HG ARG 91 HG1 ARG 91 3.514 11.452 0.085 682 1HD ARG 91 HD2 ARG 91 4.726 10.828 2.452 683 2HD ARG 91 HD1 ARG 91 3.927 12.343 2.872 684 HE ARG 91 HE ARG 91 2.489 9.956 1.780 685 1HH1 ARG 91 HH21 ARG 91 2.875 11.910 4.465 686 2HH1 ARG 91 HH22 ARG 91 1.188 12.219 4.710 687 1HH2 ARG 91 HH11 ARG 91 0.216 10.762 1.715 688 2HH2 ARG 91 HH12 ARG 91 -0.319 11.569 3.152 689 H ALA 92 HN ALA 92 7.818 10.846 -1.790 690 HA ALA 92 HA ALA 92 6.393 11.645 -4.176 691 1HB ALA 92 HB1 ALA 92 9.022 11.784 -3.296 692 2HB ALA 92 HB3 ALA 92 9.097 10.610 -4.611 693 3HB ALA 92 HB2 ALA 92 8.455 12.226 -4.905 694 H PHE 93 HN PHE 93 8.189 8.671 -3.304 695 HA PHE 93 HA PHE 93 7.302 7.288 -5.717 696 1HB PHE 93 HB2 PHE 93 9.427 6.652 -4.763 697 2HB PHE 93 HB1 PHE 93 8.684 6.333 -3.195 698 HD1 PHE 93 HD2 PHE 93 6.924 4.480 -3.038 699 HD2 PHE 93 HD1 PHE 93 9.517 4.975 -6.426 700 HE1 PHE 93 HE2 PHE 93 6.458 2.147 -3.736 701 HE2 PHE 93 HE1 PHE 93 9.051 2.641 -7.124 702 HZ PHE 93 HZ PHE 93 7.522 1.228 -5.778 703 H ALA 94 HN ALA 94 6.126 7.653 -2.458 704 HA ALA 94 HA ALA 94 4.597 5.453 -1.927 705 1HB ALA 94 HB1 ALA 94 4.271 8.340 -1.416 706 2HB ALA 94 HB3 ALA 94 2.794 7.387 -1.276 707 3HB ALA 94 HB2 ALA 94 4.202 6.980 -0.296 708 HA PRO 95 HA PRO 95 0.992 6.897 -4.735 709 1HB PRO 95 HB2 PRO 95 1.573 8.836 -6.607 710 2HB PRO 95 HB1 PRO 95 0.897 9.165 -5.003 711 1HG PRO 95 HG2 PRO 95 3.699 9.538 -5.976 712 2HG PRO 95 HG1 PRO 95 2.814 10.436 -4.731 713 1HD PRO 95 HD2 PRO 95 4.727 8.468 -4.218 714 2HD PRO 95 HD1 PRO 95 3.508 9.016 -3.055 715 H LYS 96 HN LYS 96 1.284 4.883 -5.631 716 HA LYS 96 HA LYS 96 1.505 4.437 -8.324 717 1HB LYS 96 HB2 LYS 96 4.122 5.075 -7.229 718 2HB LYS 96 HB1 LYS 96 4.108 3.448 -7.909 719 1HG LYS 96 HG2 LYS 96 3.639 4.192 -10.051 720 2HG LYS 96 HG1 LYS 96 2.824 5.648 -9.480 721 1HD LYS 96 HD2 LYS 96 5.079 6.478 -8.679 722 2HD LYS 96 HD1 LYS 96 5.804 5.113 -9.530 723 1HE LYS 96 HE2 LYS 96 5.632 6.174 -11.509 724 2HE LYS 96 HE1 LYS 96 3.918 6.495 -11.243 725 1HZ LYS 96 HZ3 LYS 96 6.108 8.079 -10.020 726 2HZ LYS 96 HZ2 LYS 96 5.309 8.517 -11.454 727 3HZ LYS 96 HZ1 LYS 96 4.450 8.433 -9.991 728 H LEU 97 HN LEU 97 -0.014 3.126 -6.762 729 HA LEU 97 HA LEU 97 1.372 0.628 -5.897 730 1HB LEU 97 HB2 LEU 97 -1.337 1.690 -5.054 731 2HB LEU 97 HB1 LEU 97 -0.519 0.277 -4.388 732 HG LEU 97 HG LEU 97 1.193 2.639 -4.375 733 1HD1 LEU 97 HD12 LEU 97 -1.578 2.822 -3.299 734 2HD1 LEU 97 HD11 LEU 97 -0.283 3.435 -2.273 735 3HD1 LEU 97 HD13 LEU 97 -0.515 4.098 -3.890 736 1HD2 LEU 97 HD22 LEU 97 1.614 0.555 -3.114 737 2HD2 LEU 97 HD21 LEU 97 1.480 1.935 -2.024 738 3HD2 LEU 97 HD23 LEU 97 0.131 0.812 -2.195 739 H VAL 98 HN VAL 98 -2.114 0.851 -6.476 740 HA VAL 98 HA VAL 98 -1.998 -1.564 -8.101 741 HB VAL 98 HB VAL 98 -4.370 -1.483 -8.056 742 1HG1 VAL 98 HG11 VAL 98 -2.817 -1.326 -5.790 743 2HG1 VAL 98 HG13 VAL 98 -4.014 -0.064 -5.501 744 3HG1 VAL 98 HG12 VAL 98 -4.536 -1.723 -5.801 745 1HG2 VAL 98 HG22 VAL 98 -3.872 1.436 -7.885 746 2HG2 VAL 98 HG21 VAL 98 -5.187 0.566 -8.675 747 3HG2 VAL 98 HG23 VAL 98 -5.236 0.849 -6.935 748 H THR 99 HN THR 99 -0.660 0.747 -9.346 749 HA THR 99 HA THR 99 -2.461 1.209 -11.658 750 HB THR 99 HB THR 99 -1.196 3.162 -12.171 751 HG1 THR 99 HG1 THR 99 0.707 2.136 -10.337 752 1HG2 THR 99 HG22 THR 99 -2.611 3.398 -10.159 753 2HG2 THR 99 HG21 THR 99 -1.239 2.932 -9.153 754 3HG2 THR 99 HG23 THR 99 -1.184 4.432 -10.079 755 H GLU 100 HN GLU 100 -1.079 1.328 -13.838 756 HA GLU 100 HA GLU 100 0.038 -1.253 -14.248 757 1HB GLU 100 HB2 GLU 100 0.686 1.183 -15.912 758 2HB GLU 100 HB1 GLU 100 0.601 -0.499 -16.437 759 1HG GLU 100 HG2 GLU 100 -1.879 -0.327 -15.536 760 2HG GLU 100 HG1 GLU 100 -1.628 1.400 -15.797 761 H VAL 101 HN VAL 101 1.545 1.115 -12.367 762 HA VAL 101 HA VAL 101 4.239 0.465 -13.411 763 HB VAL 101 HB VAL 101 3.602 2.327 -11.124 764 1HG1 VAL 101 HG13 VAL 101 5.868 2.057 -13.117 765 2HG1 VAL 101 HG12 VAL 101 5.698 3.419 -12.010 766 3HG1 VAL 101 HG11 VAL 101 5.944 1.794 -11.374 767 1HG2 VAL 101 HG23 VAL 101 2.853 2.587 -13.911 768 2HG2 VAL 101 HG22 VAL 101 2.520 3.680 -12.568 769 3HG2 VAL 101 HG21 VAL 101 4.027 3.829 -13.472 770 H GLU 102 HN GLU 102 2.136 -0.953 -11.238 771 HA GLU 102 HA GLU 102 4.431 -2.216 -9.867 772 1HB GLU 102 HB2 GLU 102 3.933 -0.365 -8.382 773 2HB GLU 102 HB1 GLU 102 2.227 -0.795 -8.363 774 1HG GLU 102 HG2 GLU 102 3.600 -1.588 -6.358 775 2HG GLU 102 HG1 GLU 102 2.652 -2.827 -7.178 776 H CYS 103 HN CYS 103 1.269 -2.451 -8.406 777 HA CYS 103 HA CYS 103 1.023 -5.202 -9.592 778 1HB CYS 103 HB2 CYS 103 0.189 -4.177 -6.860 779 2HB CYS 103 HB1 CYS 103 -0.139 -5.797 -7.472 780 H ASN 104 HN ASN 104 -0.148 -2.962 -10.943 781 HA ASN 104 HA ASN 104 -2.598 -1.997 -10.467 782 1HB ASN 104 HB2 ASN 104 -3.164 -2.716 -12.929 783 2HB ASN 104 HB1 ASN 104 -1.868 -1.566 -12.607 784 1HD2 ASN 104 HD22 ASN 104 -0.260 -5.289 -13.018 785 2HD2 ASN 104 HD21 ASN 104 -1.354 -4.960 -11.766 786 H LEU 105 HN LEU 105 -3.049 -4.824 -12.509 787 HA LEU 105 HA LEU 105 -4.520 -6.635 -12.301 788 1HB LEU 105 HB2 LEU 105 -3.991 -6.024 -9.402 789 2HB LEU 105 HB1 LEU 105 -5.175 -7.243 -9.861 790 HG LEU 105 HG LEU 105 -2.646 -7.482 -11.330 791 1HD1 LEU 105 HD13 LEU 105 -2.663 -7.239 -8.378 792 2HD1 LEU 105 HD12 LEU 105 -1.831 -8.661 -9.009 793 3HD1 LEU 105 HD11 LEU 105 -1.329 -7.049 -9.516 794 1HD2 LEU 105 HD23 LEU 105 -4.441 -9.287 -9.689 795 2HD2 LEU 105 HD22 LEU 105 -4.266 -9.246 -11.443 796 3HD2 LEU 105 HD21 LEU 105 -2.952 -9.859 -10.441 797 H ALA 106 HN ALA 106 -5.433 -3.486 -11.584 798 HA ALA 106 HA ALA 106 -7.557 -2.511 -11.872 799 1HB ALA 106 HB3 ALA 106 -8.044 -4.753 -13.119 800 2HB ALA 106 HB2 ALA 106 -8.860 -5.212 -11.625 801 3HB ALA 106 HB1 ALA 106 -9.404 -3.799 -12.527 802 H THR 107 HN THR 107 -8.999 -1.691 -10.340 803 HA THR 107 HA THR 107 -8.859 -2.978 -7.639 804 HB THR 107 HB THR 107 -8.824 -0.839 -6.660 805 HG1 THR 107 HG1 THR 107 -10.072 0.662 -7.417 806 1HG2 THR 107 HG22 THR 107 -7.477 -0.603 -9.356 807 2HG2 THR 107 HG21 THR 107 -7.262 0.563 -8.051 808 3HG2 THR 107 HG23 THR 107 -6.741 -1.107 -7.834 809 H ILE 108 HN ILE 108 -10.978 -1.456 -6.485 810 HA ILE 108 HA ILE 108 -13.267 -2.957 -7.320 811 HB ILE 108 HB ILE 108 -12.932 -1.827 -5.066 812 1HG1 ILE 108 HG12 ILE 108 -15.509 -1.090 -6.489 813 2HG1 ILE 108 HG11 ILE 108 -15.136 -2.720 -5.920 814 1HG2 ILE 108 HG22 ILE 108 -13.685 0.592 -6.736 815 2HG2 ILE 108 HG21 ILE 108 -13.717 0.560 -4.974 816 3HG2 ILE 108 HG23 ILE 108 -12.190 0.358 -5.831 817 1HD1 ILE 108 HD11 ILE 108 -14.926 -0.390 -4.031 818 2HD1 ILE 108 HD13 ILE 108 -16.500 -1.110 -4.366 819 3HD1 ILE 108 HD12 ILE 108 -15.213 -2.091 -3.667 820 H HIS 109 HN HIS 109 -11.840 -0.023 -8.438 821 HA HIS 109 HA HIS 109 -14.213 0.982 -9.812 822 1HB HIS 109 HB2 HIS 109 -11.278 1.706 -9.929 823 2HB HIS 109 HB1 HIS 109 -12.528 2.553 -10.841 824 HD1 HIS 109 HD1 HIS 109 -14.229 3.993 -9.491 825 HD2 HIS 109 HD2 HIS 109 -11.289 2.201 -7.148 826 HE1 HIS 109 HE1 HIS 109 -14.356 5.095 -7.217 827 H GLY 110 HN GLY 110 -12.759 -1.788 -10.443 828 1HA GLY 110 HA2 GLY 110 -12.196 -3.000 -12.385 829 2HA GLY 110 HA1 GLY 110 -13.580 -2.138 -13.063 830 H GLY 111 HN GLY 111 -10.806 -0.350 -11.933 831 1HA GLY 111 HA2 GLY 111 -9.668 -0.145 -14.648 832 2HA GLY 111 HA1 GLY 111 -10.355 1.335 -13.978 833 HA PRO 112 HA PRO 112 -5.955 0.640 -12.428 834 1HB PRO 112 HB2 PRO 112 -4.684 2.408 -14.117 835 2HB PRO 112 HB1 PRO 112 -4.866 0.679 -14.463 836 1HG PRO 112 HG2 PRO 112 -6.298 3.003 -15.660 837 2HG PRO 112 HG1 PRO 112 -5.991 1.401 -16.349 838 1HD PRO 112 HD2 PRO 112 -8.436 2.292 -15.227 839 2HD PRO 112 HD1 PRO 112 -8.019 0.614 -15.637 840 H PHE 113 HN PHE 113 -7.381 1.928 -10.786 841 HA PHE 113 HA PHE 113 -6.036 4.215 -9.897 842 1HB PHE 113 HB2 PHE 113 -7.619 6.046 -10.478 843 2HB PHE 113 HB1 PHE 113 -6.825 5.381 -11.900 844 HD1 PHE 113 HD1 PHE 113 -9.959 5.067 -9.855 845 HD2 PHE 113 HD2 PHE 113 -8.095 4.580 -13.696 846 HE1 PHE 113 HE1 PHE 113 -12.172 4.586 -10.875 847 HE2 PHE 113 HE2 PHE 113 -10.304 4.095 -14.711 848 HZ PHE 113 HZ PHE 113 -12.345 4.103 -13.303 849 H CYS 114 HN CYS 114 -7.211 5.289 -8.060 850 HA CYS 114 HA CYS 114 -9.761 4.084 -7.261 851 1HB CYS 114 HB2 CYS 114 -8.991 3.018 -5.261 852 2HB CYS 114 HB1 CYS 114 -7.940 2.447 -6.555 853 H LEU 115 HN LEU 115 -9.401 4.744 -4.467 854 HA LEU 115 HA LEU 115 -9.328 6.605 -3.007 855 1HB LEU 115 HB2 LEU 115 -7.610 7.421 -5.051 856 2HB LEU 115 HB1 LEU 115 -8.813 8.706 -4.964 857 HG LEU 115 HG LEU 115 -8.203 8.015 -2.291 858 1HD1 LEU 115 HD11 LEU 115 -6.076 7.165 -3.785 859 2HD1 LEU 115 HD13 LEU 115 -5.609 8.832 -3.446 860 3HD1 LEU 115 HD12 LEU 115 -5.951 7.724 -2.117 861 1HD2 LEU 115 HD21 LEU 115 -8.245 10.299 -4.044 862 2HD2 LEU 115 HD23 LEU 115 -8.395 10.259 -2.287 863 3HD2 LEU 115 HD22 LEU 115 -6.802 10.370 -3.034 864 H SER 116 HN SER 116 -10.212 9.288 -3.878 865 HA SER 116 HA SER 116 -12.937 9.173 -3.493 866 1HB SER 116 HB2 SER 116 -12.997 11.259 -5.077 867 2HB SER 116 HB1 SER 116 -12.082 11.345 -3.575 868 HG SER 116 HG SER 116 -10.217 11.053 -4.699 869 H LEU 117 HN LEU 117 -12.051 10.043 -6.797 870 HA LEU 117 HA LEU 117 -13.017 9.406 -8.832 871 1HB LEU 117 HB2 LEU 117 -12.089 7.061 -7.481 872 2HB LEU 117 HB1 LEU 117 -13.612 6.656 -8.274 873 HG LEU 117 HG LEU 117 -11.675 6.298 -9.778 874 1HD1 LEU 117 HD11 LEU 117 -13.546 8.569 -10.500 875 2HD1 LEU 117 HD13 LEU 117 -12.529 7.725 -11.666 876 3HD1 LEU 117 HD12 LEU 117 -13.796 6.850 -10.806 877 1HD2 LEU 117 HD23 LEU 117 -11.185 9.163 -9.033 878 2HD2 LEU 117 HD22 LEU 117 -10.030 7.844 -9.212 879 3HD2 LEU 117 HD21 LEU 117 -10.719 8.612 -10.642 880 H LEU 118 HN LEU 118 -15.054 7.328 -9.261 881 HA LEU 118 HA LEU 118 -17.403 8.807 -8.830 882 1HB LEU 118 HB2 LEU 118 -16.880 5.900 -9.363 883 2HB LEU 118 HB1 LEU 118 -18.513 6.448 -9.005 884 HG LEU 118 HG LEU 118 -17.290 8.255 -10.883 885 1HD1 LEU 118 HD13 LEU 118 -16.669 5.410 -11.245 886 2HD1 LEU 118 HD12 LEU 118 -17.494 6.121 -12.631 887 3HD1 LEU 118 HD11 LEU 118 -15.983 6.821 -12.052 888 1HD2 LEU 118 HD23 LEU 118 -19.743 6.757 -10.459 889 2HD2 LEU 118 HD22 LEU 118 -19.504 8.271 -11.330 890 3HD2 LEU 118 HD21 LEU 118 -19.276 6.731 -12.160 891 H GLY 119 HN GLY 119 -15.653 7.105 -6.401 892 1HA GLY 119 HA2 GLY 119 -18.035 6.669 -4.730 893 2HA GLY 119 HA1 GLY 119 -16.378 6.248 -4.298 894 H ALA 120 HN ALA 120 -17.371 9.408 -5.512 895 HA ALA 120 HA ALA 120 -17.611 10.673 -2.936 896 1HB ALA 120 HB1 ALA 120 -15.036 10.025 -3.385 897 2HB ALA 120 HB3 ALA 120 -15.089 11.573 -4.230 898 3HB ALA 120 HB2 ALA 120 -15.510 11.488 -2.520 899 H GLY 121 HN GLY 121 -19.419 11.420 -4.376 900 1HA GLY 121 HA2 GLY 121 -18.838 13.082 -6.673 901 2HA GLY 121 HA1 GLY 121 -20.399 12.959 -5.861 902 H GLU 122 HN GLU 122 -18.435 13.598 -3.378 903 HA GLU 122 HA GLU 122 -18.784 16.551 -3.691 904 1HB GLU 122 HB2 GLU 122 -19.234 14.675 -1.460 905 2HB GLU 122 HB1 GLU 122 -18.377 16.149 -1.009 906 1HG GLU 122 HG2 GLU 122 -20.628 16.773 -0.779 907 2HG GLU 122 HG1 GLU 122 -20.225 17.363 -2.391 No H/Q in entry = 907 Start of MODEL 8 Raw file had 930 H/Q atoms Start of MODEL 8 1 1H SER 1 HT3 SER 1 -25.572 -2.799 -0.484 2 2H SER 1 HT2 SER 1 -25.893 -3.732 -1.867 3 3H SER 1 HT1 SER 1 -26.765 -2.302 -1.581 4 HA SER 1 HA SER 1 -28.059 -3.220 0.054 5 1HB SER 1 HB2 SER 1 -28.777 -5.442 -0.767 6 2HB SER 1 HB1 SER 1 -28.545 -4.314 -2.100 7 HG SER 1 HG SER 1 -27.081 -5.616 -2.834 8 H VAL 2 HN VAL 2 -25.188 -5.254 -0.483 9 HA VAL 2 HA VAL 2 -25.307 -6.038 2.397 10 HB VAL 2 HB VAL 2 -23.974 -8.107 1.579 11 1HG1 VAL 2 HG11 VAL 2 -26.890 -7.542 1.114 12 2HG1 VAL 2 HG13 VAL 2 -26.223 -9.122 0.708 13 3HG1 VAL 2 HG12 VAL 2 -26.136 -8.529 2.365 14 1HG2 VAL 2 HG23 VAL 2 -23.693 -6.996 -0.756 15 2HG2 VAL 2 HG22 VAL 2 -24.111 -8.708 -0.707 16 3HG2 VAL 2 HG21 VAL 2 -25.358 -7.507 -1.040 17 H GLY 3 HN GLY 3 -22.434 -7.096 0.797 18 1HA GLY 3 HA2 GLY 3 -20.320 -5.989 0.527 19 2HA GLY 3 HA1 GLY 3 -20.957 -4.605 1.415 20 H THR 4 HN THR 4 -21.099 -4.732 3.714 21 HA THR 4 HA THR 4 -20.038 -5.115 5.776 22 HB THR 4 HB THR 4 -21.936 -6.693 5.774 23 HG1 THR 4 HG1 THR 4 -20.674 -6.704 7.596 24 1HG2 THR 4 HG21 THR 4 -19.899 -8.507 4.486 25 2HG2 THR 4 HG23 THR 4 -21.294 -9.152 5.351 26 3HG2 THR 4 HG22 THR 4 -21.531 -8.126 3.935 27 H SER 5 HN SER 5 -18.041 -4.891 3.899 28 HA SER 5 HA SER 5 -16.097 -7.019 4.710 29 1HB SER 5 HB2 SER 5 -15.011 -6.823 2.575 30 2HB SER 5 HB1 SER 5 -16.733 -6.978 2.248 31 HG SER 5 HG SER 5 -16.829 -4.890 1.696 32 H CYS 6 HN CYS 6 -13.807 -5.638 3.692 33 HA CYS 6 HA CYS 6 -12.208 -4.059 4.362 34 1HB CYS 6 HB2 CYS 6 -14.656 -2.357 4.915 35 2HB CYS 6 HB1 CYS 6 -13.008 -1.767 4.743 36 H ILE 7 HN ILE 7 -12.314 -2.173 6.491 37 HA ILE 7 HA ILE 7 -12.146 -2.000 8.822 38 HB ILE 7 HB ILE 7 -13.715 -4.597 8.999 39 1HG1 ILE 7 HG12 ILE 7 -14.793 -1.761 8.936 40 2HG1 ILE 7 HG11 ILE 7 -14.872 -2.879 7.575 41 1HG2 ILE 7 HG21 ILE 7 -13.384 -2.255 10.890 42 2HG2 ILE 7 HG23 ILE 7 -14.410 -3.660 11.177 43 3HG2 ILE 7 HG22 ILE 7 -12.660 -3.851 11.083 44 1HD1 ILE 7 HD11 ILE 7 -15.878 -3.963 10.137 45 2HD1 ILE 7 HD13 ILE 7 -16.830 -2.643 9.458 46 3HD1 ILE 7 HD12 ILE 7 -16.549 -4.105 8.513 47 HA PRO 8 HA PRO 8 -8.543 -4.556 9.151 48 1HB PRO 8 HB2 PRO 8 -7.787 -3.965 11.735 49 2HB PRO 8 HB1 PRO 8 -7.485 -2.911 10.344 50 1HG PRO 8 HG2 PRO 8 -9.529 -2.638 12.504 51 2HG PRO 8 HG1 PRO 8 -8.738 -1.379 11.541 52 1HD PRO 8 HD2 PRO 8 -11.337 -2.319 11.130 53 2HD PRO 8 HD1 PRO 8 -10.380 -1.421 9.938 54 H GLY 9 HN GLY 9 -7.647 -6.376 10.490 55 1HA GLY 9 HA2 GLY 9 -7.880 -8.434 11.563 56 2HA GLY 9 HA1 GLY 9 -9.106 -7.672 12.572 57 H MET 10 HN MET 10 -9.702 -7.484 9.173 58 HA MET 10 HA MET 10 -11.416 -9.917 9.170 59 1HB MET 10 HB2 MET 10 -12.313 -7.065 8.771 60 2HB MET 10 HB1 MET 10 -13.186 -8.399 8.017 61 1HG MET 10 HG2 MET 10 -12.522 -8.751 10.889 62 2HG MET 10 HG1 MET 10 -13.725 -7.513 10.522 63 1HE MET 10 HE1 MET 10 -15.271 -7.718 8.810 64 2HE MET 10 HE3 MET 10 -16.035 -9.172 8.154 65 3HE MET 10 HE2 MET 10 -16.568 -8.514 9.699 66 H ALA 11 HN ALA 11 -9.697 -10.713 7.604 67 HA ALA 11 HA ALA 11 -9.199 -11.271 5.369 68 1HB ALA 11 HB2 ALA 11 -11.431 -9.911 4.817 69 2HB ALA 11 HB1 ALA 11 -10.270 -8.713 4.244 70 3HB ALA 11 HB3 ALA 11 -10.277 -10.335 3.552 71 H ILE 12 HN ILE 12 -9.022 -7.741 5.902 72 HA ILE 12 HA ILE 12 -6.261 -7.671 4.889 73 HB ILE 12 HB ILE 12 -8.026 -5.415 5.886 74 1HG1 ILE 12 HG12 ILE 12 -7.304 -6.059 3.027 75 2HG1 ILE 12 HG11 ILE 12 -8.746 -6.729 3.787 76 1HG2 ILE 12 HG23 ILE 12 -5.339 -5.337 5.711 77 2HG2 ILE 12 HG22 ILE 12 -5.734 -4.998 4.026 78 3HG2 ILE 12 HG21 ILE 12 -6.348 -3.949 5.304 79 1HD1 ILE 12 HD13 ILE 12 -8.563 -3.874 4.293 80 2HD1 ILE 12 HD12 ILE 12 -8.504 -4.208 2.561 81 3HD1 ILE 12 HD11 ILE 12 -9.861 -4.789 3.526 82 HA PRO 13 HA PRO 13 -5.463 -8.174 9.337 83 1HB PRO 13 HB2 PRO 13 -2.831 -8.937 9.142 84 2HB PRO 13 HB1 PRO 13 -4.210 -10.037 8.999 85 1HG PRO 13 HG2 PRO 13 -2.401 -9.031 6.879 86 2HG PRO 13 HG1 PRO 13 -3.437 -10.467 6.878 87 1HD PRO 13 HD2 PRO 13 -3.938 -7.978 5.593 88 2HD PRO 13 HD1 PRO 13 -5.071 -9.348 5.717 89 H HIS 14 HN HIS 14 -3.809 -7.279 10.873 90 HA HIS 14 HA HIS 14 -3.486 -4.474 10.468 91 1HB HIS 14 HB2 HIS 14 -2.270 -6.314 12.566 92 2HB HIS 14 HB1 HIS 14 -2.432 -4.579 12.681 93 HD1 HIS 14 HD1 HIS 14 -4.561 -3.711 13.739 94 HD2 HIS 14 HD2 HIS 14 -4.945 -7.647 12.428 95 HE1 HIS 14 HE1 HIS 14 -6.843 -4.528 14.544 96 H ASN 15 HN ASN 15 -1.493 -3.306 10.017 97 HA ASN 15 HA ASN 15 0.664 -2.944 9.206 98 1HB ASN 15 HB2 ASN 15 1.037 -4.667 11.234 99 2HB ASN 15 HB1 ASN 15 1.561 -5.705 9.909 100 1HD2 ASN 15 HD22 ASN 15 4.330 -3.373 11.264 101 2HD2 ASN 15 HD21 ASN 15 3.133 -4.226 12.114 102 HA PRO 16 HA PRO 16 -0.398 -5.756 5.560 103 1HB PRO 16 HB2 PRO 16 -1.781 -3.955 4.030 104 2HB PRO 16 HB1 PRO 16 -2.558 -5.028 5.209 105 1HG PRO 16 HG2 PRO 16 -2.006 -2.100 5.411 106 2HG PRO 16 HG1 PRO 16 -3.293 -3.054 6.166 107 1HD PRO 16 HD2 PRO 16 -0.943 -2.159 7.453 108 2HD PRO 16 HD1 PRO 16 -2.064 -3.402 8.043 109 H LEU 17 HN LEU 17 0.288 -5.426 3.293 110 HA LEU 17 HA LEU 17 2.027 -4.909 1.807 111 1HB LEU 17 HB2 LEU 17 0.660 -2.313 2.478 112 2HB LEU 17 HB1 LEU 17 1.953 -2.371 1.280 113 HG LEU 17 HG LEU 17 0.561 -4.421 0.345 114 1HD1 LEU 17 HD11 LEU 17 -1.379 -2.874 2.054 115 2HD1 LEU 17 HD13 LEU 17 -1.930 -3.719 0.607 116 3HD1 LEU 17 HD12 LEU 17 -1.174 -4.621 1.920 117 1HD2 LEU 17 HD21 LEU 17 0.308 -1.483 -0.054 118 2HD2 LEU 17 HD23 LEU 17 0.761 -2.740 -1.205 119 3HD2 LEU 17 HD22 LEU 17 -0.936 -2.486 -0.799 120 H ASP 18 HN ASP 18 3.180 -5.322 4.332 121 HA ASP 18 HA ASP 18 4.933 -3.148 5.119 122 1HB ASP 18 HB2 ASP 18 6.197 -4.958 6.340 123 2HB ASP 18 HB1 ASP 18 4.468 -4.928 6.709 124 H SER 19 HN SER 19 5.166 -5.883 2.952 125 HA SER 19 HA SER 19 7.936 -5.672 2.253 126 1HB SER 19 HB2 SER 19 6.059 -7.493 1.679 127 2HB SER 19 HB1 SER 19 5.935 -6.536 0.204 128 HG SER 19 HG SER 19 7.618 -7.660 -0.376 129 H CYS 20 HN CYS 20 5.081 -3.899 1.324 130 HA CYS 20 HA CYS 20 6.180 -2.704 -1.066 131 1HB CYS 20 HB2 CYS 20 3.890 -1.752 0.660 132 2HB CYS 20 HB1 CYS 20 4.206 -1.295 -1.014 133 H ARG 21 HN ARG 21 5.931 -1.769 2.345 134 HA ARG 21 HA ARG 21 6.921 0.890 2.016 135 1HB ARG 21 HB2 ARG 21 5.973 0.758 4.087 136 2HB ARG 21 HB1 ARG 21 6.394 -0.926 4.315 137 1HG ARG 21 HG2 ARG 21 8.762 -0.207 4.780 138 2HG ARG 21 HG1 ARG 21 8.235 1.471 4.658 139 1HD ARG 21 HD2 ARG 21 7.217 1.426 6.696 140 2HD ARG 21 HD1 ARG 21 6.624 -0.222 6.474 141 HE ARG 21 HE ARG 21 9.473 -0.267 6.797 142 1HH1 ARG 21 HH21 ARG 21 7.907 -2.217 8.247 143 2HH1 ARG 21 HH22 ARG 21 7.927 -1.640 9.881 144 1HH2 ARG 21 HH11 ARG 21 8.924 1.567 9.013 145 2HH2 ARG 21 HH12 ARG 21 8.501 0.505 10.314 146 H TRP 22 HN TRP 22 8.625 -2.179 2.869 147 HA TRP 22 HA TRP 22 11.215 -0.924 2.924 148 1HB TRP 22 HB2 TRP 22 10.400 -3.808 2.796 149 2HB TRP 22 HB1 TRP 22 12.070 -3.333 2.568 150 HD1 TRP 22 HD1 TRP 22 9.906 -4.317 5.229 151 HE1 TRP 22 HE1 TRP 22 10.777 -3.474 7.517 152 HE3 TRP 22 HE3 TRP 22 13.205 -0.966 3.573 153 HZ2 TRP 22 HZ2 TRP 22 12.708 -1.546 8.486 154 HZ3 TRP 22 HZ3 TRP 22 14.594 0.406 5.144 155 HH2 TRP 22 HH2 TRP 22 14.342 0.111 7.600 156 H TYR 23 HN TYR 23 9.237 -2.300 0.401 157 HA TYR 23 HA TYR 23 11.284 -2.577 -1.588 158 1HB TYR 23 HB2 TYR 23 9.059 -3.663 -1.764 159 2HB TYR 23 HB1 TYR 23 8.325 -2.080 -2.037 160 HD1 TYR 23 HD1 TYR 23 11.192 -4.155 -3.293 161 HD2 TYR 23 HD2 TYR 23 8.041 -1.399 -4.252 162 HE1 TYR 23 HE1 TYR 23 11.786 -4.315 -5.695 163 HE2 TYR 23 HE2 TYR 23 8.635 -1.559 -6.654 164 HH TYR 23 HH TYR 23 11.398 -2.557 -7.802 165 H VAL 24 HN VAL 24 9.280 0.169 -0.525 166 HA VAL 24 HA VAL 24 10.135 1.889 -2.726 167 HB VAL 24 HB VAL 24 9.104 2.701 0.009 168 1HG1 VAL 24 HG12 VAL 24 9.675 4.235 -2.532 169 2HG1 VAL 24 HG11 VAL 24 8.576 4.853 -1.298 170 3HG1 VAL 24 HG13 VAL 24 10.271 4.561 -0.905 171 1HG2 VAL 24 HG22 VAL 24 7.752 2.203 -2.650 172 2HG2 VAL 24 HG21 VAL 24 7.345 1.509 -1.081 173 3HG2 VAL 24 HG23 VAL 24 7.012 3.211 -1.406 174 H SER 25 HN SER 25 11.217 1.200 0.594 175 HA SER 25 HA SER 25 13.208 3.199 0.823 176 1HB SER 25 HB2 SER 25 13.720 0.420 1.835 177 2HB SER 25 HB1 SER 25 14.118 1.962 2.583 178 HG SER 25 HG SER 25 12.323 1.068 3.609 179 H THR 26 HN THR 26 13.288 0.053 -0.801 180 HA THR 26 HA THR 26 16.121 0.168 -1.462 181 HB THR 26 HB THR 26 13.929 -1.612 -2.571 182 HG1 THR 26 HG1 THR 26 14.522 -2.991 -0.973 183 1HG2 THR 26 HG23 THR 26 16.949 -1.772 -2.687 184 2HG2 THR 26 HG22 THR 26 15.893 -3.139 -3.038 185 3HG2 THR 26 HG21 THR 26 15.829 -1.693 -4.046 186 H ARG 27 HN ARG 27 13.167 0.547 -3.472 187 HA ARG 27 HA ARG 27 14.541 1.092 -5.918 188 1HB ARG 27 HB2 ARG 27 11.757 1.522 -4.908 189 2HB ARG 27 HB1 ARG 27 12.246 2.348 -6.386 190 1HG ARG 27 HG2 ARG 27 12.491 -0.635 -5.911 191 2HG ARG 27 HG1 ARG 27 11.200 0.134 -6.831 192 1HD ARG 27 HD2 ARG 27 13.795 1.056 -7.757 193 2HD ARG 27 HD1 ARG 27 13.697 -0.704 -7.821 194 HE ARG 27 HE ARG 27 11.687 -0.450 -9.251 195 1HH1 ARG 27 HH21 ARG 27 11.319 2.501 -8.383 196 2HH1 ARG 27 HH22 ARG 27 11.758 3.311 -9.850 197 1HH2 ARG 27 HH11 ARG 27 13.251 0.515 -11.259 198 2HH2 ARG 27 HH12 ARG 27 12.852 2.186 -11.479 199 H THR 28 HN THR 28 13.766 3.098 -3.190 200 HA THR 28 HA THR 28 14.272 5.588 -4.664 201 HB THR 28 HB THR 28 13.500 6.695 -2.610 202 HG1 THR 28 HG1 THR 28 12.818 5.314 -0.885 203 1HG2 THR 28 HG21 THR 28 11.855 4.316 -3.473 204 2HG2 THR 28 HG23 THR 28 11.236 5.646 -2.495 205 3HG2 THR 28 HG22 THR 28 11.794 5.945 -4.142 206 H CYS 29 HN CYS 29 15.560 4.304 -1.525 207 HA CYS 29 HA CYS 29 18.016 5.894 -2.017 208 1HB CYS 29 HB2 CYS 29 17.440 4.407 0.527 209 2HB CYS 29 HB1 CYS 29 18.413 5.856 0.294 210 H GLY 30 HN GLY 30 17.154 2.934 -2.889 211 1HA GLY 30 HA2 GLY 30 18.314 0.916 -3.324 212 2HA GLY 30 HA1 GLY 30 19.786 1.880 -3.197 213 H VAL 31 HN VAL 31 17.480 1.644 -0.561 214 HA VAL 31 HA VAL 31 19.444 0.000 0.997 215 HB VAL 31 HB VAL 31 17.598 2.164 2.051 216 1HG1 VAL 31 HG13 VAL 31 19.748 0.435 3.289 217 2HG1 VAL 31 HG12 VAL 31 19.198 1.936 4.037 218 3HG1 VAL 31 HG11 VAL 31 18.066 0.605 3.794 219 1HG2 VAL 31 HG23 VAL 31 20.364 2.207 0.957 220 2HG2 VAL 31 HG22 VAL 31 19.156 3.490 1.012 221 3HG2 VAL 31 HG21 VAL 31 20.104 3.111 2.449 222 H GLY 32 HN GLY 32 18.384 -1.240 2.821 223 1HA GLY 32 HA2 GLY 32 15.973 -1.859 3.617 224 2HA GLY 32 HA1 GLY 32 15.773 -2.289 1.917 225 HA PRO 33 HA PRO 33 17.721 -5.900 4.384 226 1HB PRO 33 HB2 PRO 33 15.735 -7.785 3.886 227 2HB PRO 33 HB1 PRO 33 15.828 -6.786 5.347 228 1HG PRO 33 HG2 PRO 33 14.082 -6.457 2.935 229 2HG PRO 33 HG1 PRO 33 13.729 -6.114 4.638 230 1HD PRO 33 HD2 PRO 33 14.325 -4.170 2.810 231 2HD PRO 33 HD1 PRO 33 14.648 -4.010 4.551 232 H ARG 34 HN ARG 34 18.171 -8.219 3.239 233 HA ARG 34 HA ARG 34 18.940 -7.560 0.477 234 1HB ARG 34 HB2 ARG 34 20.248 -8.863 2.514 235 2HB ARG 34 HB1 ARG 34 19.670 -10.214 1.540 236 1HG ARG 34 HG2 ARG 34 21.395 -9.854 0.132 237 2HG ARG 34 HG1 ARG 34 20.634 -8.330 -0.324 238 1HD ARG 34 HD2 ARG 34 22.929 -7.917 0.421 239 2HD ARG 34 HD1 ARG 34 21.794 -7.213 1.574 240 HE ARG 34 HE ARG 34 22.191 -9.311 2.963 241 1HH1 ARG 34 HH11 ARG 34 23.872 -10.769 0.976 242 2HH1 ARG 34 HH12 ARG 34 25.477 -10.420 1.523 243 1HH2 ARG 34 HH21 ARG 34 24.503 -7.752 3.513 244 2HH2 ARG 34 HH22 ARG 34 25.836 -8.712 2.959 245 H LEU 35 HN LEU 35 16.935 -7.694 -0.514 246 HA LEU 35 HA LEU 35 16.080 -10.447 -1.222 247 1HB LEU 35 HB2 LEU 35 14.444 -8.389 0.158 248 2HB LEU 35 HB1 LEU 35 13.672 -9.163 -1.227 249 HG LEU 35 HG LEU 35 15.037 -10.738 0.963 250 1HD1 LEU 35 HD11 LEU 35 12.312 -9.527 0.826 251 2HD1 LEU 35 HD13 LEU 35 12.441 -11.167 1.463 252 3HD1 LEU 35 HD12 LEU 35 13.327 -9.851 2.231 253 1HD2 LEU 35 HD23 LEU 35 14.422 -11.589 -1.466 254 2HD2 LEU 35 HD22 LEU 35 14.107 -12.609 -0.063 255 3HD2 LEU 35 HD21 LEU 35 12.796 -11.682 -0.792 256 H ALA 36 HN ALA 36 15.982 -10.583 -3.425 257 HA ALA 36 HA ALA 36 16.737 -8.538 -5.175 258 1HB ALA 36 HB3 ALA 36 15.368 -11.148 -5.473 259 2HB ALA 36 HB2 ALA 36 15.163 -10.027 -6.818 260 3HB ALA 36 HB1 ALA 36 16.782 -10.515 -6.315 261 H THR 37 HN THR 37 15.491 -7.140 -6.637 262 HA THR 37 HA THR 37 13.286 -5.800 -5.449 263 HB THR 37 HB THR 37 12.973 -4.988 -7.943 264 HG1 THR 37 HG1 THR 37 14.385 -5.723 -9.294 265 1HG2 THR 37 HG21 THR 37 15.317 -4.468 -6.117 266 2HG2 THR 37 HG23 THR 37 15.094 -3.563 -7.614 267 3HG2 THR 37 HG22 THR 37 13.869 -3.488 -6.347 268 H GLN 38 HN GLN 38 13.197 -7.867 -8.385 269 HA GLN 38 HA GLN 38 10.412 -7.916 -8.703 270 1HB GLN 38 HB2 GLN 38 12.568 -9.902 -9.384 271 2HB GLN 38 HB1 GLN 38 10.876 -10.276 -9.714 272 1HG GLN 38 HG2 GLN 38 10.648 -8.279 -11.083 273 2HG GLN 38 HG1 GLN 38 12.280 -7.761 -10.661 274 1HE2 GLN 38 HE22 GLN 38 13.799 -9.738 -13.148 275 2HE2 GLN 38 HE21 GLN 38 13.975 -8.529 -11.969 276 H GLU 39 HN GLU 39 12.319 -9.715 -6.367 277 HA GLU 39 HA GLU 39 10.249 -11.623 -5.673 278 1HB GLU 39 HB2 GLU 39 12.808 -10.715 -4.368 279 2HB GLU 39 HB1 GLU 39 11.689 -11.774 -3.507 280 1HG GLU 39 HG2 GLU 39 11.859 -13.471 -5.189 281 2HG GLU 39 HG1 GLU 39 12.701 -12.386 -6.292 282 H MET 40 HN MET 40 11.386 -8.581 -4.223 283 HA MET 40 HA MET 40 9.562 -8.478 -2.027 284 1HB MET 40 HB2 MET 40 11.645 -6.992 -2.672 285 2HB MET 40 HB1 MET 40 10.441 -6.006 -3.485 286 1HG MET 40 HG2 MET 40 10.432 -5.039 -1.369 287 2HG MET 40 HG1 MET 40 9.141 -6.229 -1.201 288 1HE MET 40 HE2 MET 40 9.525 -5.448 1.003 289 2HE MET 40 HE1 MET 40 9.634 -6.990 1.847 290 3HE MET 40 HE3 MET 40 10.890 -5.764 2.066 291 H LYS 41 HN LYS 41 9.459 -6.862 -5.186 292 HA LYS 41 HA LYS 41 6.900 -5.703 -5.060 293 1HB LYS 41 HB2 LYS 41 8.576 -5.326 -6.888 294 2HB LYS 41 HB1 LYS 41 8.167 -6.916 -7.533 295 1HG LYS 41 HG2 LYS 41 5.786 -6.181 -7.722 296 2HG LYS 41 HG1 LYS 41 6.276 -4.570 -7.196 297 1HD LYS 41 HD2 LYS 41 7.437 -5.982 -9.614 298 2HD LYS 41 HD1 LYS 41 6.117 -4.813 -9.696 299 1HE LYS 41 HE2 LYS 41 7.728 -3.254 -8.369 300 2HE LYS 41 HE1 LYS 41 8.989 -4.360 -8.911 301 1HZ LYS 41 HZ3 LYS 41 7.045 -3.152 -10.785 302 2HZ LYS 41 HZ2 LYS 41 8.504 -2.382 -10.379 303 3HZ LYS 41 HZ1 LYS 41 8.526 -3.899 -11.144 304 H ALA 42 HN ALA 42 7.873 -8.999 -5.859 305 HA ALA 42 HA ALA 42 5.359 -9.987 -6.797 306 1HB ALA 42 HB2 ALA 42 7.629 -11.150 -6.923 307 2HB ALA 42 HB1 ALA 42 7.398 -11.580 -5.229 308 3HB ALA 42 HB3 ALA 42 6.273 -12.174 -6.449 309 H ARG 43 HN ARG 43 6.815 -9.814 -3.568 310 HA ARG 43 HA ARG 43 4.763 -11.143 -2.112 311 1HB ARG 43 HB2 ARG 43 7.188 -10.063 -1.460 312 2HB ARG 43 HB1 ARG 43 6.092 -8.882 -0.741 313 1HG ARG 43 HG2 ARG 43 5.623 -11.824 -0.316 314 2HG ARG 43 HG1 ARG 43 6.805 -10.964 0.671 315 1HD ARG 43 HD2 ARG 43 5.146 -9.452 1.504 316 2HD ARG 43 HD1 ARG 43 3.962 -9.989 0.313 317 HE ARG 43 HE ARG 43 3.888 -12.167 1.538 318 1HH1 ARG 43 HH11 ARG 43 6.464 -11.039 3.062 319 2HH1 ARG 43 HH12 ARG 43 5.790 -10.925 4.653 320 1HH2 ARG 43 HH21 ARG 43 2.518 -11.334 3.582 321 2HH2 ARG 43 HH22 ARG 43 3.556 -11.092 4.947 322 H CYS 44 HN CYS 44 5.178 -7.716 -3.008 323 HA CYS 44 HA CYS 44 2.925 -6.702 -1.549 324 1HB CYS 44 HB2 CYS 44 4.426 -5.699 -3.943 325 2HB CYS 44 HB1 CYS 44 2.960 -4.899 -3.371 326 H CYS 45 HN CYS 45 3.263 -8.164 -4.768 327 HA CYS 45 HA CYS 45 0.598 -7.448 -5.665 328 1HB CYS 45 HB2 CYS 45 2.692 -9.373 -6.656 329 2HB CYS 45 HB1 CYS 45 1.070 -9.390 -7.335 330 H ARG 46 HN ARG 46 2.004 -10.120 -3.873 331 HA ARG 46 HA ARG 46 -0.301 -11.882 -4.096 332 1HB ARG 46 HB2 ARG 46 2.179 -12.405 -3.432 333 2HB ARG 46 HB1 ARG 46 1.663 -11.977 -1.816 334 1HG ARG 46 HG2 ARG 46 -0.248 -13.761 -3.127 335 2HG ARG 46 HG1 ARG 46 1.355 -14.478 -2.994 336 1HD ARG 46 HD2 ARG 46 1.129 -14.772 -0.771 337 2HD ARG 46 HD1 ARG 46 0.611 -13.104 -0.537 338 HE ARG 46 HE ARG 46 -1.702 -13.866 -1.097 339 1HH1 ARG 46 HH11 ARG 46 -0.874 -16.521 -2.293 340 2HH1 ARG 46 HH12 ARG 46 -1.285 -17.618 -1.018 341 1HH2 ARG 46 HH21 ARG 46 -1.548 -15.142 1.392 342 2HH2 ARG 46 HH22 ARG 46 -1.667 -16.838 1.065 343 H GLN 47 HN GLN 47 0.780 -9.327 -1.921 344 HA GLN 47 HA GLN 47 -1.276 -9.823 0.104 345 1HB GLN 47 HB2 GLN 47 0.388 -7.330 -0.371 346 2HB GLN 47 HB1 GLN 47 -0.490 -7.738 1.103 347 1HG GLN 47 HG2 GLN 47 1.173 -9.972 0.485 348 2HG GLN 47 HG1 GLN 47 2.169 -8.527 0.322 349 1HE2 GLN 47 HE22 GLN 47 2.568 -8.374 3.809 350 2HE2 GLN 47 HE21 GLN 47 3.262 -8.224 2.267 351 H LEU 48 HN LEU 48 -0.932 -7.783 -2.740 352 HA LEU 48 HA LEU 48 -3.288 -6.166 -2.280 353 1HB LEU 48 HB2 LEU 48 -1.244 -5.676 -3.817 354 2HB LEU 48 HB1 LEU 48 -2.073 -6.700 -4.989 355 HG LEU 48 HG LEU 48 -4.082 -4.992 -4.039 356 1HD1 LEU 48 HD12 LEU 48 -1.473 -3.502 -4.430 357 2HD1 LEU 48 HD11 LEU 48 -3.058 -2.730 -4.461 358 3HD1 LEU 48 HD13 LEU 48 -2.488 -3.512 -2.988 359 1HD2 LEU 48 HD23 LEU 48 -2.574 -5.467 -6.515 360 2HD2 LEU 48 HD22 LEU 48 -4.303 -5.224 -6.285 361 3HD2 LEU 48 HD21 LEU 48 -3.226 -3.833 -6.406 362 H GLU 49 HN GLU 49 -2.583 -9.197 -3.935 363 HA GLU 49 HA GLU 49 -5.183 -9.402 -5.220 364 1HB GLU 49 HB2 GLU 49 -2.704 -10.833 -5.281 365 2HB GLU 49 HB1 GLU 49 -3.965 -11.988 -4.847 366 1HG GLU 49 HG2 GLU 49 -4.336 -10.060 -7.138 367 2HG GLU 49 HG1 GLU 49 -3.518 -11.606 -7.364 368 H ALA 50 HN ALA 50 -3.692 -10.643 -2.247 369 HA ALA 50 HA ALA 50 -5.852 -12.298 -1.351 370 1HB ALA 50 HB1 ALA 50 -3.850 -10.686 0.271 371 2HB ALA 50 HB3 ALA 50 -4.879 -11.963 0.918 372 3HB ALA 50 HB2 ALA 50 -3.636 -12.350 -0.271 373 H ILE 51 HN ILE 51 -5.125 -8.883 -1.044 374 HA ILE 51 HA ILE 51 -7.558 -8.231 0.464 375 HB ILE 51 HB ILE 51 -5.528 -6.422 -0.892 376 1HG1 ILE 51 HG12 ILE 51 -5.772 -7.077 2.052 377 2HG1 ILE 51 HG11 ILE 51 -4.706 -7.977 0.974 378 1HG2 ILE 51 HG22 ILE 51 -7.743 -5.905 1.112 379 2HG2 ILE 51 HG21 ILE 51 -6.476 -4.738 0.732 380 3HG2 ILE 51 HG23 ILE 51 -7.611 -5.248 -0.517 381 1HD1 ILE 51 HD12 ILE 51 -4.549 -4.991 0.934 382 2HD1 ILE 51 HD11 ILE 51 -3.829 -5.842 2.301 383 3HD1 ILE 51 HD13 ILE 51 -3.279 -6.183 0.660 384 HA PRO 52 HA PRO 52 -9.589 -8.458 -3.597 385 1HB PRO 52 HB2 PRO 52 -12.127 -7.853 -2.667 386 2HB PRO 52 HB1 PRO 52 -11.422 -9.479 -2.706 387 1HG PRO 52 HG2 PRO 52 -11.689 -7.592 -0.381 388 2HG PRO 52 HG1 PRO 52 -11.816 -9.361 -0.409 389 1HD PRO 52 HD2 PRO 52 -9.565 -8.054 0.476 390 2HD PRO 52 HD1 PRO 52 -9.510 -9.663 -0.277 391 H ALA 53 HN ALA 53 -9.986 -6.914 -5.087 392 HA ALA 53 HA ALA 53 -9.079 -4.353 -5.017 393 1HB ALA 53 HB1 ALA 53 -10.239 -5.771 -6.914 394 2HB ALA 53 HB3 ALA 53 -11.627 -4.761 -6.512 395 3HB ALA 53 HB2 ALA 53 -10.118 -4.016 -7.039 396 H TYR 54 HN TYR 54 -12.211 -5.345 -3.730 397 HA TYR 54 HA TYR 54 -13.547 -2.883 -3.572 398 1HB TYR 54 HB2 TYR 54 -13.824 -5.487 -2.410 399 2HB TYR 54 HB1 TYR 54 -14.034 -4.297 -1.127 400 HD1 TYR 54 HD2 TYR 54 -15.054 -4.914 -4.682 401 HD2 TYR 54 HD1 TYR 54 -16.123 -3.295 -0.851 402 HE1 TYR 54 HE2 TYR 54 -17.317 -4.378 -5.541 403 HE2 TYR 54 HE1 TYR 54 -18.384 -2.755 -1.710 404 HH TYR 54 HH TYR 54 -19.815 -4.008 -4.025 405 H CYS 55 HN CYS 55 -11.884 -4.284 -0.722 406 HA CYS 55 HA CYS 55 -11.525 -1.570 0.398 407 1HB CYS 55 HB2 CYS 55 -10.520 -4.134 1.631 408 2HB CYS 55 HB1 CYS 55 -10.990 -2.637 2.433 409 H ARG 56 HN ARG 56 -9.784 -3.122 -1.905 410 HA ARG 56 HA ARG 56 -7.127 -3.395 -1.103 411 1HB ARG 56 HB2 ARG 56 -8.510 -2.855 -3.615 412 2HB ARG 56 HB1 ARG 56 -6.933 -2.070 -3.574 413 1HG ARG 56 HG2 ARG 56 -5.914 -4.247 -2.886 414 2HG ARG 56 HG1 ARG 56 -7.494 -5.004 -3.076 415 1HD ARG 56 HD2 ARG 56 -7.231 -3.694 -5.467 416 2HD ARG 56 HD1 ARG 56 -5.564 -4.148 -5.138 417 HE ARG 56 HE ARG 56 -6.785 -6.501 -4.660 418 1HH1 ARG 56 HH11 ARG 56 -8.044 -4.301 -6.992 419 2HH1 ARG 56 HH12 ARG 56 -8.165 -5.499 -8.228 420 1HH2 ARG 56 HH21 ARG 56 -6.670 -8.000 -6.380 421 2HH2 ARG 56 HH22 ARG 56 -7.405 -7.572 -7.889 422 H CYS 57 HN CYS 57 -7.779 -0.415 -2.958 423 HA CYS 57 HA CYS 57 -5.792 1.235 -2.152 424 1HB CYS 57 HB2 CYS 57 -8.689 2.110 -2.296 425 2HB CYS 57 HB1 CYS 57 -7.287 3.173 -2.435 426 H GLU 58 HN GLU 58 -8.744 0.926 -0.039 427 HA GLU 58 HA GLU 58 -8.213 2.703 1.981 428 1HB GLU 58 HB2 GLU 58 -9.357 -0.052 1.964 429 2HB GLU 58 HB1 GLU 58 -9.015 0.688 3.529 430 1HG GLU 58 HG2 GLU 58 -10.486 2.257 1.428 431 2HG GLU 58 HG1 GLU 58 -11.355 1.082 2.416 432 H ALA 59 HN ALA 59 -6.827 -0.641 1.989 433 HA ALA 59 HA ALA 59 -5.305 -0.638 4.268 434 1HB ALA 59 HB2 ALA 59 -4.729 -1.737 1.545 435 2HB ALA 59 HB1 ALA 59 -3.537 -1.911 2.832 436 3HB ALA 59 HB3 ALA 59 -5.149 -2.600 3.025 437 H VAL 60 HN VAL 60 -4.254 0.890 1.235 438 HA VAL 60 HA VAL 60 -1.664 1.712 2.046 439 HB VAL 60 HB VAL 60 -3.566 3.232 0.231 440 1HG1 VAL 60 HG11 VAL 60 -0.545 3.167 0.480 441 2HG1 VAL 60 HG13 VAL 60 -1.412 3.952 -0.838 442 3HG1 VAL 60 HG12 VAL 60 -1.603 4.537 0.815 443 1HG2 VAL 60 HG21 VAL 60 -2.768 0.608 -0.088 444 2HG2 VAL 60 HG23 VAL 60 -3.218 1.690 -1.406 445 3HG2 VAL 60 HG22 VAL 60 -1.521 1.482 -0.976 446 H ARG 61 HN ARG 61 -4.775 3.443 2.248 447 HA ARG 61 HA ARG 61 -3.866 5.799 3.554 448 1HB ARG 61 HB2 ARG 61 -6.410 4.518 2.960 449 2HB ARG 61 HB1 ARG 61 -6.449 5.259 4.559 450 1HG ARG 61 HG2 ARG 61 -5.944 7.407 3.700 451 2HG ARG 61 HG1 ARG 61 -5.389 6.753 2.159 452 1HD ARG 61 HD2 ARG 61 -7.528 6.453 1.354 453 2HD ARG 61 HD1 ARG 61 -8.204 6.171 2.958 454 HE ARG 61 HE ARG 61 -7.515 8.823 3.073 455 1HH1 ARG 61 HH21 ARG 61 -7.699 9.624 0.442 456 2HH1 ARG 61 HH22 ARG 61 -9.385 9.707 0.056 457 1HH2 ARG 61 HH11 ARG 61 -10.365 7.743 2.741 458 2HH2 ARG 61 HH12 ARG 61 -10.895 8.641 1.358 459 H ILE 62 HN ILE 62 -4.463 2.581 4.778 460 HA ILE 62 HA ILE 62 -4.512 3.325 7.605 461 HB ILE 62 HB ILE 62 -4.132 0.646 6.216 462 1HG1 ILE 62 HG12 ILE 62 -6.307 1.791 5.768 463 2HG1 ILE 62 HG11 ILE 62 -6.493 0.272 6.639 464 1HG2 ILE 62 HG23 ILE 62 -4.076 1.403 9.059 465 2HG2 ILE 62 HG22 ILE 62 -5.187 0.084 8.689 466 3HG2 ILE 62 HG21 ILE 62 -3.482 -0.055 8.266 467 1HD1 ILE 62 HD13 ILE 62 -6.177 2.652 8.368 468 2HD1 ILE 62 HD12 ILE 62 -7.652 2.627 7.403 469 3HD1 ILE 62 HD11 ILE 62 -7.296 1.298 8.506 470 H LEU 63 HN LEU 63 -2.044 2.323 5.301 471 HA LEU 63 HA LEU 63 -0.056 1.839 7.381 472 1HB LEU 63 HB2 LEU 63 -0.119 0.855 4.971 473 2HB LEU 63 HB1 LEU 63 0.597 2.393 4.490 474 HG LEU 63 HG LEU 63 2.419 2.026 6.152 475 1HD1 LEU 63 HD11 LEU 63 0.816 -0.472 6.619 476 2HD1 LEU 63 HD13 LEU 63 2.564 -0.510 6.843 477 3HD1 LEU 63 HD12 LEU 63 1.578 0.598 7.796 478 1HD2 LEU 63 HD23 LEU 63 1.902 0.045 3.941 479 2HD2 LEU 63 HD22 LEU 63 3.036 1.395 3.972 480 3HD2 LEU 63 HD21 LEU 63 3.372 -0.060 4.908 481 H MET 64 HN MET 64 -0.731 4.491 5.127 482 HA MET 64 HA MET 64 1.469 6.097 6.166 483 1HB MET 64 HB2 MET 64 0.424 6.218 3.800 484 2HB MET 64 HB1 MET 64 -0.875 7.149 4.549 485 1HG MET 64 HG2 MET 64 0.410 8.999 4.641 486 2HG MET 64 HG1 MET 64 1.734 8.121 5.406 487 1HE MET 64 HE1 MET 64 3.684 8.700 4.600 488 2HE MET 64 HE3 MET 64 3.830 7.034 4.020 489 3HE MET 64 HE2 MET 64 4.350 8.374 3.002 490 H ASP 65 HN ASP 65 -2.121 6.294 6.382 491 HA ASP 65 HA ASP 65 -1.927 8.425 8.371 492 1HB ASP 65 HB2 ASP 65 -4.540 7.023 7.657 493 2HB ASP 65 HB1 ASP 65 -4.277 8.653 8.267 494 H GLY 66 HN GLY 66 -2.095 4.957 8.473 495 1HA GLY 66 HA2 GLY 66 -1.800 3.603 10.397 496 2HA GLY 66 HA1 GLY 66 -1.907 5.051 11.398 497 H VAL 67 HN VAL 67 -3.277 2.409 11.606 498 HA VAL 67 HA VAL 67 -6.124 3.336 11.553 499 HB VAL 67 HB VAL 67 -5.813 1.500 10.007 500 1HG1 VAL 67 HG11 VAL 67 -4.610 0.027 12.365 501 2HG1 VAL 67 HG13 VAL 67 -4.960 -0.698 10.797 502 3HG1 VAL 67 HG12 VAL 67 -3.741 0.570 10.930 503 1HG2 VAL 67 HG21 VAL 67 -7.850 1.540 11.526 504 2HG2 VAL 67 HG23 VAL 67 -7.461 -0.030 10.825 505 3HG2 VAL 67 HG22 VAL 67 -7.039 0.316 12.502 506 H VAL 68 HN VAL 68 -7.466 2.424 13.315 507 HA VAL 68 HA VAL 68 -5.856 2.048 15.793 508 HB VAL 68 HB VAL 68 -8.533 3.408 15.365 509 1HG1 VAL 68 HG11 VAL 68 -7.165 2.673 17.979 510 2HG1 VAL 68 HG13 VAL 68 -8.546 3.762 17.839 511 3HG1 VAL 68 HG12 VAL 68 -8.718 2.060 17.411 512 1HG2 VAL 68 HG21 VAL 68 -5.740 4.208 16.069 513 2HG2 VAL 68 HG23 VAL 68 -6.910 5.024 15.033 514 3HG2 VAL 68 HG22 VAL 68 -7.064 5.123 16.788 515 H THR 69 HN THR 69 -6.806 0.653 17.397 516 HA THR 69 HA THR 69 -8.358 -1.570 16.197 517 HB THR 69 HB THR 69 -7.129 -3.043 17.795 518 HG1 THR 69 HG1 THR 69 -6.016 -2.102 19.274 519 1HG2 THR 69 HG22 THR 69 -6.417 -2.433 15.378 520 2HG2 THR 69 HG21 THR 69 -5.154 -1.478 16.154 521 3HG2 THR 69 HG23 THR 69 -5.235 -3.218 16.424 522 H SER 70 HN SER 70 -9.597 -2.835 17.649 523 HA SER 70 HA SER 70 -11.450 -1.333 19.185 524 1HB SER 70 HB2 SER 70 -11.958 -3.432 17.971 525 2HB SER 70 HB1 SER 70 -10.965 -4.319 19.124 526 HG SER 70 HG SER 70 -12.772 -4.430 20.212 527 H SER 71 HN SER 71 -8.457 -2.739 20.074 528 HA SER 71 HA SER 71 -9.094 -2.953 22.936 529 1HB SER 71 HB2 SER 71 -6.525 -3.376 23.015 530 2HB SER 71 HB1 SER 71 -7.558 -4.604 22.291 531 HG SER 71 HG SER 71 -5.534 -3.488 21.175 532 H GLY 72 HN GLY 72 -8.012 -0.518 20.768 533 1HA GLY 72 HA2 GLY 72 -7.890 1.824 21.499 534 2HA GLY 72 HA1 GLY 72 -7.340 1.242 23.072 535 H GLN 73 HN GLN 73 -5.868 -0.478 20.467 536 HA GLN 73 HA GLN 73 -3.345 1.085 20.888 537 1HB GLN 73 HB2 GLN 73 -3.791 -1.762 19.933 538 2HB GLN 73 HB1 GLN 73 -2.214 -0.978 20.043 539 1HG GLN 73 HG2 GLN 73 -2.716 -0.534 22.488 540 2HG GLN 73 HG1 GLN 73 -4.123 -1.585 22.314 541 1HE2 GLN 73 HE22 GLN 73 -0.601 -3.287 23.017 542 2HE2 GLN 73 HE21 GLN 73 -0.956 -1.656 23.321 543 H HIS 74 HN HIS 74 -1.981 1.430 18.920 544 HA HIS 74 HA HIS 74 -3.685 1.694 16.481 545 1HB HIS 74 HB2 HIS 74 -1.380 3.315 17.550 546 2HB HIS 74 HB1 HIS 74 -1.888 3.430 15.884 547 HD1 HIS 74 HD1 HIS 74 -2.863 5.786 15.996 548 HD2 HIS 74 HD2 HIS 74 -4.509 3.226 18.842 549 HE1 HIS 74 HE1 HIS 74 -4.838 7.008 17.006 550 H GLU 75 HN GLU 75 -2.624 1.260 14.457 551 HA GLU 75 HA GLU 75 -0.099 -0.279 14.598 552 1HB GLU 75 HB2 GLU 75 -2.474 -1.213 12.977 553 2HB GLU 75 HB1 GLU 75 -0.973 -2.081 13.295 554 1HG GLU 75 HG2 GLU 75 -2.830 -1.254 15.529 555 2HG GLU 75 HG1 GLU 75 -3.015 -2.787 14.679 556 H GLY 76 HN GLY 76 0.448 -0.880 12.124 557 1HA GLY 76 HA2 GLY 76 1.259 0.023 10.117 558 2HA GLY 76 HA1 GLY 76 -0.297 0.853 10.013 559 H ARG 77 HN ARG 77 0.569 2.814 9.294 560 HA ARG 77 HA ARG 77 1.540 4.958 9.485 561 1HB ARG 77 HB2 ARG 77 0.112 4.440 11.775 562 2HB ARG 77 HB1 ARG 77 1.694 4.857 12.430 563 1HG ARG 77 HG2 ARG 77 0.803 6.635 10.254 564 2HG ARG 77 HG1 ARG 77 -0.231 6.681 11.681 565 1HD ARG 77 HD2 ARG 77 2.752 6.814 12.015 566 2HD ARG 77 HD1 ARG 77 1.863 8.265 11.552 567 HE ARG 77 HE ARG 77 0.577 7.040 13.801 568 1HH1 ARG 77 HH11 ARG 77 1.088 9.942 13.706 569 2HH1 ARG 77 HH12 ARG 77 2.343 10.156 14.881 570 1HH2 ARG 77 HH21 ARG 77 3.203 6.798 14.968 571 2HH2 ARG 77 HH22 ARG 77 3.539 8.377 15.595 572 H LEU 78 HN LEU 78 3.306 2.415 9.653 573 HA LEU 78 HA LEU 78 5.551 3.244 11.322 574 1HB LEU 78 HB2 LEU 78 4.703 0.830 9.936 575 2HB LEU 78 HB1 LEU 78 6.401 1.173 9.621 576 HG LEU 78 HG LEU 78 6.739 1.454 12.097 577 1HD1 LEU 78 HD11 LEU 78 3.835 0.639 12.054 578 2HD1 LEU 78 HD13 LEU 78 4.847 0.315 13.461 579 3HD1 LEU 78 HD12 LEU 78 4.589 1.975 12.923 580 1HD2 LEU 78 HD22 LEU 78 5.971 -1.072 10.729 581 2HD2 LEU 78 HD21 LEU 78 7.471 -0.652 11.556 582 3HD2 LEU 78 HD23 LEU 78 6.058 -1.143 12.489 583 H LEU 79 HN LEU 79 4.504 3.934 8.087 584 HA LEU 79 HA LEU 79 7.046 4.217 6.788 585 1HB LEU 79 HB2 LEU 79 4.453 5.749 6.387 586 2HB LEU 79 HB1 LEU 79 5.830 5.803 5.285 587 HG LEU 79 HG LEU 79 4.847 3.096 6.014 588 1HD1 LEU 79 HD12 LEU 79 3.249 5.106 4.429 589 2HD1 LEU 79 HD11 LEU 79 3.113 3.377 4.109 590 3HD1 LEU 79 HD13 LEU 79 2.693 4.015 5.700 591 1HD2 LEU 79 HD23 LEU 79 5.649 4.443 3.413 592 2HD2 LEU 79 HD22 LEU 79 6.705 3.463 4.430 593 3HD2 LEU 79 HD21 LEU 79 5.330 2.720 3.614 594 H GLN 80 HN GLN 80 8.516 5.185 8.229 595 HA GLN 80 HA GLN 80 8.072 8.091 8.745 596 1HB GLN 80 HB2 GLN 80 9.268 6.121 10.711 597 2HB GLN 80 HB1 GLN 80 9.045 7.851 10.971 598 1HG GLN 80 HG2 GLN 80 6.513 7.084 10.239 599 2HG GLN 80 HG1 GLN 80 7.074 5.656 11.110 600 1HE2 GLN 80 HE22 GLN 80 7.620 7.613 14.179 601 2HE2 GLN 80 HE21 GLN 80 8.467 6.487 13.233 602 H ASP 81 HN ASP 81 10.283 8.904 9.744 603 HA ASP 81 HA ASP 81 12.163 9.196 7.739 604 1HB ASP 81 HB2 ASP 81 12.413 9.340 10.752 605 2HB ASP 81 HB1 ASP 81 13.785 9.690 9.695 606 H LEU 82 HN LEU 82 13.735 8.035 6.912 607 HA LEU 82 HA LEU 82 14.819 5.635 8.315 608 1HB LEU 82 HB2 LEU 82 13.758 5.908 5.514 609 2HB LEU 82 HB1 LEU 82 15.036 4.750 5.830 610 HG LEU 82 HG LEU 82 12.411 4.849 7.348 611 1HD1 LEU 82 HD11 LEU 82 12.451 4.205 4.786 612 2HD1 LEU 82 HD13 LEU 82 13.159 2.703 5.380 613 3HD1 LEU 82 HD12 LEU 82 11.557 3.201 5.927 614 1HD2 LEU 82 HD22 LEU 82 14.725 2.890 7.249 615 2HD2 LEU 82 HD21 LEU 82 14.150 3.793 8.651 616 3HD2 LEU 82 HD23 LEU 82 13.161 2.504 7.967 617 HA PRO 83 HA PRO 83 18.723 7.401 7.312 618 1HB PRO 83 HB2 PRO 83 20.246 5.294 6.387 619 2HB PRO 83 HB1 PRO 83 19.872 5.574 8.097 620 1HG PRO 83 HG2 PRO 83 18.666 3.589 6.206 621 2HG PRO 83 HG1 PRO 83 18.923 3.460 7.955 622 1HD PRO 83 HD2 PRO 83 16.470 4.018 6.776 623 2HD PRO 83 HD1 PRO 83 16.887 4.435 8.449 624 H GLY 84 HN GLY 84 18.264 8.783 5.636 625 1HA GLY 84 HA2 GLY 84 18.862 9.613 3.487 626 2HA GLY 84 HA1 GLY 84 19.155 7.961 2.944 627 H CYS 85 HN CYS 85 16.141 8.107 4.569 628 HA CYS 85 HA CYS 85 14.676 8.753 2.053 629 1HB CYS 85 HB2 CYS 85 13.818 6.376 3.674 630 2HB CYS 85 HB1 CYS 85 13.474 6.749 1.996 631 HA PRO 86 HA PRO 86 12.591 10.749 5.675 632 1HB PRO 86 HB2 PRO 86 11.718 12.956 4.268 633 2HB PRO 86 HB1 PRO 86 13.288 12.861 5.057 634 1HG PRO 86 HG2 PRO 86 12.633 12.672 2.165 635 2HG PRO 86 HG1 PRO 86 14.132 13.208 2.941 636 1HD PRO 86 HD2 PRO 86 13.725 10.705 1.738 637 2HD PRO 86 HD1 PRO 86 15.049 11.103 2.849 638 H ARG 87 HN ARG 87 10.255 11.389 5.965 639 HA ARG 87 HA ARG 87 8.392 9.587 4.910 640 1HB ARG 87 HB2 ARG 87 8.060 12.360 6.059 641 2HB ARG 87 HB1 ARG 87 6.686 11.337 5.627 642 1HG ARG 87 HG2 ARG 87 7.686 9.540 7.012 643 2HG ARG 87 HG1 ARG 87 8.893 10.704 7.552 644 1HD ARG 87 HD2 ARG 87 7.140 10.658 9.224 645 2HD ARG 87 HD1 ARG 87 6.997 12.178 8.339 646 HE ARG 87 HE ARG 87 5.267 10.676 6.935 647 1HH1 ARG 87 HH21 ARG 87 5.608 8.993 9.626 648 2HH1 ARG 87 HH22 ARG 87 4.101 9.397 10.378 649 1HH2 ARG 87 HH11 ARG 87 3.407 12.003 8.207 650 2HH2 ARG 87 HH12 ARG 87 2.858 11.097 9.576 651 H GLN 88 HN GLN 88 9.604 12.584 3.664 652 HA GLN 88 HA GLN 88 7.488 13.270 1.869 653 1HB GLN 88 HB2 GLN 88 10.136 14.201 2.452 654 2HB GLN 88 HB1 GLN 88 9.967 14.085 0.702 655 1HG GLN 88 HG2 GLN 88 7.706 15.301 2.232 656 2HG GLN 88 HG1 GLN 88 9.174 16.259 2.042 657 1HE2 GLN 88 HE22 GLN 88 6.665 15.920 -1.072 658 2HE2 GLN 88 HE21 GLN 88 6.258 15.437 0.503 659 H VAL 89 HN VAL 89 10.431 11.298 1.192 660 HA VAL 89 HA VAL 89 9.782 10.921 -1.583 661 HB VAL 89 HB VAL 89 11.600 9.334 0.238 662 1HG1 VAL 89 HG13 VAL 89 10.849 8.562 -2.216 663 2HG1 VAL 89 HG12 VAL 89 12.083 9.734 -2.680 664 3HG1 VAL 89 HG11 VAL 89 12.508 8.364 -1.653 665 1HG2 VAL 89 HG22 VAL 89 11.849 11.916 -1.223 666 2HG2 VAL 89 HG21 VAL 89 12.389 11.487 0.400 667 3HG2 VAL 89 HG23 VAL 89 13.273 10.897 -1.008 668 H GLN 90 HN GLN 90 9.345 8.890 1.317 669 HA GLN 90 HA GLN 90 8.204 6.672 -0.163 670 1HB GLN 90 HB2 GLN 90 7.513 5.815 2.050 671 2HB GLN 90 HB1 GLN 90 9.198 6.328 2.061 672 1HG GLN 90 HG2 GLN 90 8.154 8.631 2.858 673 2HG GLN 90 HG1 GLN 90 6.825 7.594 3.374 674 1HE2 GLN 90 HE22 GLN 90 10.512 6.958 5.100 675 2HE2 GLN 90 HE21 GLN 90 10.439 7.526 3.502 676 H ARG 91 HN ARG 91 6.957 9.634 1.170 677 HA ARG 91 HA ARG 91 4.146 8.839 1.038 678 1HB ARG 91 HB2 ARG 91 4.994 10.577 2.624 679 2HB ARG 91 HB1 ARG 91 5.324 11.626 1.246 680 1HG ARG 91 HG2 ARG 91 3.128 12.143 0.954 681 2HG ARG 91 HG1 ARG 91 2.599 10.490 1.274 682 1HD ARG 91 HD2 ARG 91 3.282 11.029 3.745 683 2HD ARG 91 HD1 ARG 91 3.147 12.709 3.229 684 HE ARG 91 HE ARG 91 0.805 11.256 2.424 685 1HH1 ARG 91 HH11 ARG 91 2.032 11.088 5.475 686 2HH1 ARG 91 HH12 ARG 91 0.774 11.990 6.254 687 1HH2 ARG 91 HH21 ARG 91 -0.654 13.067 3.285 688 2HH2 ARG 91 HH22 ARG 91 -0.746 13.110 5.014 689 H ALA 92 HN ALA 92 6.464 10.388 -1.104 690 HA ALA 92 HA ALA 92 4.471 11.378 -2.980 691 1HB ALA 92 HB3 ALA 92 7.453 11.202 -2.883 692 2HB ALA 92 HB2 ALA 92 6.688 11.411 -4.458 693 3HB ALA 92 HB1 ALA 92 6.420 12.600 -3.185 694 H PHE 93 HN PHE 93 6.737 8.618 -2.970 695 HA PHE 93 HA PHE 93 5.728 7.542 -5.483 696 1HB PHE 93 HB2 PHE 93 8.065 7.222 -4.817 697 2HB PHE 93 HB1 PHE 93 7.546 6.353 -3.379 698 HD1 PHE 93 HD1 PHE 93 7.356 6.264 -7.110 699 HD2 PHE 93 HD2 PHE 93 7.181 4.016 -3.453 700 HE1 PHE 93 HE1 PHE 93 7.292 4.156 -8.409 701 HE2 PHE 93 HE2 PHE 93 7.118 1.908 -4.755 702 HZ PHE 93 HZ PHE 93 7.175 1.977 -7.233 703 H ALA 94 HN ALA 94 5.013 7.019 -2.086 704 HA ALA 94 HA ALA 94 3.920 4.446 -2.115 705 1HB ALA 94 HB2 ALA 94 3.446 6.875 -0.452 706 2HB ALA 94 HB1 ALA 94 2.349 5.507 -0.263 707 3HB ALA 94 HB3 ALA 94 4.078 5.295 0.012 708 HA PRO 95 HA PRO 95 -0.474 6.202 -3.082 709 1HB PRO 95 HB2 PRO 95 -0.608 8.595 -4.439 710 2HB PRO 95 HB1 PRO 95 -0.729 8.425 -2.679 711 1HG PRO 95 HG2 PRO 95 1.582 9.363 -4.328 712 2HG PRO 95 HG1 PRO 95 1.124 9.813 -2.676 713 1HD PRO 95 HD2 PRO 95 3.166 8.037 -3.332 714 2HD PRO 95 HD1 PRO 95 2.372 8.115 -1.749 715 H LYS 96 HN LYS 96 2.112 5.838 -5.198 716 HA LYS 96 HA LYS 96 0.267 5.533 -7.541 717 1HB LYS 96 HB2 LYS 96 3.202 6.233 -7.379 718 2HB LYS 96 HB1 LYS 96 2.484 5.621 -8.868 719 1HG LYS 96 HG2 LYS 96 0.828 7.724 -7.723 720 2HG LYS 96 HG1 LYS 96 2.479 8.292 -7.963 721 1HD LYS 96 HD2 LYS 96 1.708 8.699 -10.084 722 2HD LYS 96 HD1 LYS 96 2.123 6.998 -10.306 723 1HE LYS 96 HE2 LYS 96 -0.047 6.848 -11.013 724 2HE LYS 96 HE1 LYS 96 -0.378 6.740 -9.286 725 1HZ LYS 96 HZ2 LYS 96 -0.236 9.335 -10.701 726 2HZ LYS 96 HZ1 LYS 96 -1.681 8.447 -10.593 727 3HZ LYS 96 HZ3 LYS 96 -0.919 9.000 -9.182 728 H LEU 97 HN LEU 97 0.978 3.627 -5.275 729 HA LEU 97 HA LEU 97 2.641 1.531 -6.369 730 1HB LEU 97 HB2 LEU 97 1.810 2.129 -3.897 731 2HB LEU 97 HB1 LEU 97 0.642 0.864 -4.278 732 HG LEU 97 HG LEU 97 3.384 0.171 -5.091 733 1HD1 LEU 97 HD11 LEU 97 3.882 1.511 -3.059 734 2HD1 LEU 97 HD13 LEU 97 2.767 0.498 -2.138 735 3HD1 LEU 97 HD12 LEU 97 4.234 -0.202 -2.825 736 1HD2 LEU 97 HD21 LEU 97 1.342 -1.340 -4.935 737 2HD2 LEU 97 HD23 LEU 97 2.783 -1.948 -4.120 738 3HD2 LEU 97 HD22 LEU 97 1.481 -1.217 -3.181 739 H VAL 98 HN VAL 98 -0.901 2.054 -6.771 740 HA VAL 98 HA VAL 98 -1.248 -0.749 -7.642 741 HB VAL 98 HB VAL 98 -3.604 -0.151 -7.843 742 1HG1 VAL 98 HG13 VAL 98 -2.298 -0.630 -5.625 743 2HG1 VAL 98 HG12 VAL 98 -2.733 1.041 -5.258 744 3HG1 VAL 98 HG11 VAL 98 -3.995 -0.150 -5.578 745 1HG2 VAL 98 HG21 VAL 98 -2.634 2.480 -8.119 746 2HG2 VAL 98 HG23 VAL 98 -4.323 1.988 -8.042 747 3HG2 VAL 98 HG22 VAL 98 -3.478 2.464 -6.571 748 H THR 99 HN THR 99 0.366 1.271 -9.195 749 HA THR 99 HA THR 99 -1.227 1.478 -11.694 750 HB THR 99 HB THR 99 0.409 3.054 -12.475 751 HG1 THR 99 HG1 THR 99 2.382 3.324 -11.409 752 1HG2 THR 99 HG21 THR 99 -1.088 3.793 -10.576 753 2HG2 THR 99 HG23 THR 99 0.283 3.527 -9.498 754 3HG2 THR 99 HG22 THR 99 0.391 4.733 -10.781 755 H GLU 100 HN GLU 100 0.191 0.995 -13.798 756 HA GLU 100 HA GLU 100 0.863 -1.770 -13.743 757 1HB GLU 100 HB2 GLU 100 1.697 0.341 -15.750 758 2HB GLU 100 HB1 GLU 100 1.711 -1.403 -16.020 759 1HG GLU 100 HG2 GLU 100 -0.827 -1.173 -15.221 760 2HG GLU 100 HG1 GLU 100 -0.612 0.469 -15.829 761 H VAL 101 HN VAL 101 2.800 0.683 -12.313 762 HA VAL 101 HA VAL 101 5.334 -0.653 -13.093 763 HB VAL 101 HB VAL 101 4.909 1.853 -11.439 764 1HG1 VAL 101 HG13 VAL 101 7.300 0.400 -12.530 765 2HG1 VAL 101 HG12 VAL 101 7.356 2.156 -12.370 766 3HG1 VAL 101 HG11 VAL 101 7.078 1.150 -10.949 767 1HG2 VAL 101 HG23 VAL 101 4.186 1.728 -13.994 768 2HG2 VAL 101 HG22 VAL 101 5.067 3.124 -13.376 769 3HG2 VAL 101 HG21 VAL 101 5.924 1.860 -14.258 770 H GLU 102 HN GLU 102 3.027 -1.240 -10.783 771 HA GLU 102 HA GLU 102 5.095 -2.300 -8.929 772 1HB GLU 102 HB2 GLU 102 2.965 -0.314 -8.274 773 2HB GLU 102 HB1 GLU 102 3.385 -1.518 -7.054 774 1HG GLU 102 HG2 GLU 102 5.728 -0.292 -8.350 775 2HG GLU 102 HG1 GLU 102 4.731 0.861 -7.469 776 H CYS 103 HN CYS 103 1.623 -2.214 -8.191 777 HA CYS 103 HA CYS 103 1.339 -5.083 -8.969 778 1HB CYS 103 HB2 CYS 103 1.171 -3.929 -6.190 779 2HB CYS 103 HB1 CYS 103 0.229 -5.357 -6.622 780 H ASN 104 HN ASN 104 0.134 -2.797 -10.244 781 HA ASN 104 HA ASN 104 -2.295 -1.808 -9.448 782 1HB ASN 104 HB2 ASN 104 -1.235 -1.338 -11.617 783 2HB ASN 104 HB1 ASN 104 -1.683 -2.933 -12.191 784 1HD2 ASN 104 HD22 ASN 104 -4.333 -0.783 -13.511 785 2HD2 ASN 104 HD21 ASN 104 -2.711 -1.170 -13.830 786 H LEU 105 HN LEU 105 -2.175 -4.823 -11.430 787 HA LEU 105 HA LEU 105 -3.824 -6.508 -11.663 788 1HB LEU 105 HB2 LEU 105 -3.857 -6.174 -8.642 789 2HB LEU 105 HB1 LEU 105 -4.412 -7.593 -9.529 790 HG LEU 105 HG LEU 105 -1.640 -6.645 -10.087 791 1HD1 LEU 105 HD11 LEU 105 -2.557 -7.873 -7.488 792 2HD1 LEU 105 HD13 LEU 105 -0.925 -8.146 -8.099 793 3HD1 LEU 105 HD12 LEU 105 -1.468 -6.509 -7.737 794 1HD2 LEU 105 HD21 LEU 105 -2.988 -8.700 -11.036 795 2HD2 LEU 105 HD23 LEU 105 -1.284 -8.892 -10.621 796 3HD2 LEU 105 HD22 LEU 105 -2.532 -9.457 -9.511 797 H ALA 106 HN ALA 106 -4.822 -3.678 -11.745 798 HA ALA 106 HA ALA 106 -6.861 -2.568 -11.942 799 1HB ALA 106 HB2 ALA 106 -7.520 -5.082 -12.612 800 2HB ALA 106 HB1 ALA 106 -8.411 -4.986 -11.093 801 3HB ALA 106 HB3 ALA 106 -8.748 -3.836 -12.387 802 H THR 107 HN THR 107 -8.541 -1.689 -10.537 803 HA THR 107 HA THR 107 -8.145 -2.318 -7.629 804 HB THR 107 HB THR 107 -7.919 -0.029 -7.072 805 HG1 THR 107 HG1 THR 107 -9.048 0.492 -9.629 806 1HG2 THR 107 HG21 THR 107 -6.169 -1.022 -8.863 807 2HG2 THR 107 HG23 THR 107 -6.753 0.375 -9.765 808 3HG2 THR 107 HG22 THR 107 -6.026 0.595 -8.172 809 H ILE 108 HN ILE 108 -10.124 -0.514 -6.670 810 HA ILE 108 HA ILE 108 -12.570 -1.938 -7.304 811 HB ILE 108 HB ILE 108 -12.190 -0.859 -5.087 812 1HG1 ILE 108 HG12 ILE 108 -14.525 0.456 -6.493 813 2HG1 ILE 108 HG11 ILE 108 -14.502 -1.265 -6.102 814 1HG2 ILE 108 HG23 ILE 108 -11.038 1.180 -6.062 815 2HG2 ILE 108 HG22 ILE 108 -12.632 1.763 -6.539 816 3HG2 ILE 108 HG21 ILE 108 -12.250 1.536 -4.833 817 1HD1 ILE 108 HD11 ILE 108 -13.974 -0.565 -3.699 818 2HD1 ILE 108 HD13 ILE 108 -14.398 1.075 -4.190 819 3HD1 ILE 108 HD12 ILE 108 -15.605 -0.210 -4.269 820 H HIS 109 HN HIS 109 -11.047 1.041 -8.347 821 HA HIS 109 HA HIS 109 -13.214 2.211 -9.788 822 1HB HIS 109 HB2 HIS 109 -10.205 2.479 -10.088 823 2HB HIS 109 HB1 HIS 109 -11.375 3.483 -10.937 824 HD1 HIS 109 HD1 HIS 109 -13.051 4.873 -9.325 825 HD2 HIS 109 HD2 HIS 109 -9.598 3.372 -7.532 826 HE1 HIS 109 HE1 HIS 109 -12.714 6.182 -7.195 827 H GLY 110 HN GLY 110 -11.587 -0.705 -10.512 828 1HA GLY 110 HA2 GLY 110 -11.545 -2.051 -12.416 829 2HA GLY 110 HA1 GLY 110 -12.852 -1.041 -13.038 830 H GLY 111 HN GLY 111 -9.539 -0.057 -12.172 831 1HA GLY 111 HA2 GLY 111 -8.502 0.044 -14.850 832 2HA GLY 111 HA1 GLY 111 -9.122 1.631 -14.396 833 HA PRO 112 HA PRO 112 -4.798 0.945 -12.599 834 1HB PRO 112 HB2 PRO 112 -3.363 2.491 -14.380 835 2HB PRO 112 HB1 PRO 112 -3.570 0.744 -14.544 836 1HG PRO 112 HG2 PRO 112 -4.842 2.945 -16.086 837 2HG PRO 112 HG1 PRO 112 -4.576 1.261 -16.560 838 1HD PRO 112 HD2 PRO 112 -7.033 2.388 -15.697 839 2HD PRO 112 HD1 PRO 112 -6.684 0.660 -15.899 840 H PHE 113 HN PHE 113 -6.142 2.393 -11.099 841 HA PHE 113 HA PHE 113 -4.735 4.750 -10.482 842 1HB PHE 113 HB2 PHE 113 -6.458 6.505 -11.005 843 2HB PHE 113 HB1 PHE 113 -5.653 5.835 -12.416 844 HD1 PHE 113 HD1 PHE 113 -6.843 4.274 -13.917 845 HD2 PHE 113 HD2 PHE 113 -8.834 6.138 -10.595 846 HE1 PHE 113 HE1 PHE 113 -9.032 3.710 -14.922 847 HE2 PHE 113 HE2 PHE 113 -11.026 5.568 -11.605 848 HZ PHE 113 HZ PHE 113 -11.126 4.364 -13.776 849 H CYS 114 HN CYS 114 -5.624 5.895 -8.609 850 HA CYS 114 HA CYS 114 -8.098 5.319 -7.347 851 1HB CYS 114 HB2 CYS 114 -6.756 3.022 -7.253 852 2HB CYS 114 HB1 CYS 114 -5.902 3.833 -5.978 853 H LEU 115 HN LEU 115 -8.129 6.288 -5.126 854 HA LEU 115 HA LEU 115 -7.544 8.000 -3.636 855 1HB LEU 115 HB2 LEU 115 -5.302 6.219 -3.902 856 2HB LEU 115 HB1 LEU 115 -4.687 7.861 -3.726 857 HG LEU 115 HG LEU 115 -6.325 8.092 -1.761 858 1HD1 LEU 115 HD13 LEU 115 -6.593 5.204 -2.477 859 2HD1 LEU 115 HD12 LEU 115 -6.589 5.627 -0.765 860 3HD1 LEU 115 HD11 LEU 115 -7.802 6.319 -1.841 861 1HD2 LEU 115 HD23 LEU 115 -3.806 7.698 -1.637 862 2HD2 LEU 115 HD22 LEU 115 -4.724 7.174 -0.225 863 3HD2 LEU 115 HD21 LEU 115 -4.174 5.988 -1.408 864 H SER 116 HN SER 116 -7.506 8.486 -6.678 865 HA SER 116 HA SER 116 -6.521 11.231 -6.545 866 1HB SER 116 HB2 SER 116 -4.642 9.372 -7.295 867 2HB SER 116 HB1 SER 116 -5.311 9.845 -8.854 868 HG SER 116 HG SER 116 -4.132 11.467 -6.853 869 H LEU 117 HN LEU 117 -7.022 8.890 -9.214 870 HA LEU 117 HA LEU 117 -8.532 8.906 -11.013 871 1HB LEU 117 HB2 LEU 117 -10.022 9.365 -8.692 872 2HB LEU 117 HB1 LEU 117 -10.542 10.650 -9.783 873 HG LEU 117 HG LEU 117 -10.348 7.784 -10.715 874 1HD1 LEU 117 HD12 LEU 117 -12.727 9.171 -9.449 875 2HD1 LEU 117 HD11 LEU 117 -12.780 7.606 -10.259 876 3HD1 LEU 117 HD13 LEU 117 -11.848 7.798 -8.775 877 1HD2 LEU 117 HD22 LEU 117 -11.805 10.275 -11.629 878 2HD2 LEU 117 HD21 LEU 117 -10.545 9.391 -12.490 879 3HD2 LEU 117 HD23 LEU 117 -12.142 8.672 -12.281 880 H LEU 118 HN LEU 118 -6.503 11.070 -10.657 881 HA LEU 118 HA LEU 118 -5.807 12.891 -11.896 882 1HB LEU 118 HB2 LEU 118 -8.446 12.461 -13.250 883 2HB LEU 118 HB1 LEU 118 -7.558 13.947 -13.510 884 HG LEU 118 HG LEU 118 -6.290 11.218 -13.777 885 1HD1 LEU 118 HD13 LEU 118 -8.304 11.697 -15.333 886 2HD1 LEU 118 HD12 LEU 118 -7.262 12.907 -16.081 887 3HD1 LEU 118 HD11 LEU 118 -6.789 11.208 -16.091 888 1HD2 LEU 118 HD21 LEU 118 -5.513 14.057 -14.283 889 2HD2 LEU 118 HD23 LEU 118 -4.529 12.711 -13.709 890 3HD2 LEU 118 HD22 LEU 118 -4.925 12.846 -15.423 891 H GLY 119 HN GLY 119 -8.611 13.133 -9.859 892 1HA GLY 119 HA2 GLY 119 -8.265 15.111 -8.257 893 2HA GLY 119 HA1 GLY 119 -8.257 16.085 -9.725 894 H ALA 120 HN ALA 120 -10.128 16.871 -8.031 895 HA ALA 120 HA ALA 120 -12.677 15.466 -8.642 896 1HB ALA 120 HB2 ALA 120 -11.875 16.340 -6.282 897 2HB ALA 120 HB1 ALA 120 -12.486 17.884 -6.874 898 3HB ALA 120 HB3 ALA 120 -13.568 16.496 -6.751 899 H GLY 121 HN GLY 121 -11.495 16.716 -10.814 900 1HA GLY 121 HA2 GLY 121 -12.859 19.323 -11.198 901 2HA GLY 121 HA1 GLY 121 -11.676 18.609 -12.294 902 H GLU 122 HN GLU 122 -14.286 16.637 -11.050 903 HA GLU 122 HA GLU 122 -15.442 16.503 -13.796 904 1HB GLU 122 HB2 GLU 122 -15.283 14.593 -11.487 905 2HB GLU 122 HB1 GLU 122 -16.614 14.434 -12.632 906 1HG GLU 122 HG2 GLU 122 -14.364 14.787 -14.258 907 2HG GLU 122 HG1 GLU 122 -13.794 13.738 -12.961 No H/Q in entry = 907 Start of MODEL 9 Raw file had 930 H/Q atoms Start of MODEL 9 1 1H SER 1 HT3 SER 1 -27.667 2.389 11.841 2 2H SER 1 HT2 SER 1 -29.245 1.780 11.674 3 3H SER 1 HT1 SER 1 -28.302 1.349 13.021 4 HA SER 1 HA SER 1 -28.365 -0.471 11.458 5 1HB SER 1 HB2 SER 1 -28.706 1.161 9.494 6 2HB SER 1 HB1 SER 1 -26.957 1.365 9.513 7 HG SER 1 HG SER 1 -27.988 -0.377 8.147 8 H VAL 2 HN VAL 2 -26.754 -1.766 12.194 9 HA VAL 2 HA VAL 2 -24.493 -0.981 13.579 10 HB VAL 2 HB VAL 2 -25.045 -3.295 13.608 11 1HG1 VAL 2 HG13 VAL 2 -25.813 -2.945 11.007 12 2HG1 VAL 2 HG12 VAL 2 -24.335 -3.886 10.801 13 3HG1 VAL 2 HG11 VAL 2 -25.653 -4.519 11.787 14 1HG2 VAL 2 HG21 VAL 2 -22.533 -2.602 13.456 15 2HG2 VAL 2 HG23 VAL 2 -22.946 -4.306 13.271 16 3HG2 VAL 2 HG22 VAL 2 -22.597 -3.324 11.848 17 H GLY 3 HN GLY 3 -24.470 -1.867 10.097 18 1HA GLY 3 HA2 GLY 3 -23.307 -0.489 8.449 19 2HA GLY 3 HA1 GLY 3 -22.269 0.111 9.742 20 H THR 4 HN THR 4 -21.513 -1.194 7.181 21 HA THR 4 HA THR 4 -19.666 -3.180 8.349 22 HB THR 4 HB THR 4 -21.494 -4.622 7.712 23 HG1 THR 4 HG1 THR 4 -20.386 -5.443 5.598 24 1HG2 THR 4 HG23 THR 4 -22.021 -2.627 5.822 25 2HG2 THR 4 HG22 THR 4 -21.575 -4.040 4.866 26 3HG2 THR 4 HG21 THR 4 -22.903 -4.141 6.023 27 H SER 5 HN SER 5 -18.719 -0.846 7.589 28 HA SER 5 HA SER 5 -18.038 -0.874 4.715 29 1HB SER 5 HB2 SER 5 -18.497 1.191 6.391 30 2HB SER 5 HB1 SER 5 -16.748 1.067 6.564 31 HG SER 5 HG SER 5 -16.598 1.955 4.675 32 H CYS 6 HN CYS 6 -16.936 -3.078 5.331 33 HA CYS 6 HA CYS 6 -14.919 -4.263 5.490 34 1HB CYS 6 HB2 CYS 6 -13.893 -1.469 4.954 35 2HB CYS 6 HB1 CYS 6 -12.820 -2.860 5.102 36 H ILE 7 HN ILE 7 -13.668 -4.974 7.194 37 HA ILE 7 HA ILE 7 -13.221 -3.101 9.473 38 HB ILE 7 HB ILE 7 -13.935 -4.735 11.080 39 1HG1 ILE 7 HG12 ILE 7 -12.984 -6.688 9.806 40 2HG1 ILE 7 HG11 ILE 7 -14.573 -6.996 10.504 41 1HG2 ILE 7 HG22 ILE 7 -15.752 -3.459 9.994 42 2HG2 ILE 7 HG21 ILE 7 -15.917 -4.735 8.788 43 3HG2 ILE 7 HG23 ILE 7 -16.289 -5.067 10.480 44 1HD1 ILE 7 HD11 ILE 7 -15.227 -5.957 8.038 45 2HD1 ILE 7 HD13 ILE 7 -13.762 -6.871 7.678 46 3HD1 ILE 7 HD12 ILE 7 -15.145 -7.678 8.417 47 HA PRO 8 HA PRO 8 -9.195 -4.816 9.441 48 1HB PRO 8 HB2 PRO 8 -8.524 -4.601 12.101 49 2HB PRO 8 HB1 PRO 8 -8.599 -3.223 10.989 50 1HG PRO 8 HG2 PRO 8 -10.509 -4.005 13.140 51 2HG PRO 8 HG1 PRO 8 -10.188 -2.405 12.451 52 1HD PRO 8 HD2 PRO 8 -12.403 -4.059 11.842 53 2HD PRO 8 HD1 PRO 8 -11.898 -2.617 10.936 54 H GLY 9 HN GLY 9 -7.824 -6.609 10.389 55 1HA GLY 9 HA2 GLY 9 -7.540 -8.836 11.047 56 2HA GLY 9 HA1 GLY 9 -8.866 -8.573 12.177 57 H MET 10 HN MET 10 -9.771 -7.843 8.988 58 HA MET 10 HA MET 10 -10.771 -10.605 8.470 59 1HB MET 10 HB2 MET 10 -12.405 -8.094 8.759 60 2HB MET 10 HB1 MET 10 -12.972 -9.430 7.759 61 1HG MET 10 HG2 MET 10 -12.218 -10.782 9.990 62 2HG MET 10 HG1 MET 10 -12.721 -9.251 10.705 63 1HE MET 10 HE2 MET 10 -14.399 -10.230 12.031 64 2HE MET 10 HE1 MET 10 -15.185 -8.810 11.346 65 3HE MET 10 HE3 MET 10 -16.075 -10.332 11.495 66 H ALA 11 HN ALA 11 -9.340 -10.744 6.549 67 HA ALA 11 HA ALA 11 -9.115 -10.529 4.198 68 1HB ALA 11 HB1 ALA 11 -11.518 -9.497 4.321 69 2HB ALA 11 HB3 ALA 11 -10.672 -7.951 4.251 70 3HB ALA 11 HB2 ALA 11 -10.499 -9.111 2.934 71 H ILE 12 HN ILE 12 -9.291 -7.307 5.732 72 HA ILE 12 HA ILE 12 -6.630 -6.667 4.602 73 HB ILE 12 HB ILE 12 -8.784 -5.006 5.924 74 1HG1 ILE 12 HG12 ILE 12 -7.847 -3.922 3.482 75 2HG1 ILE 12 HG11 ILE 12 -8.023 -5.656 3.215 76 1HG2 ILE 12 HG22 ILE 12 -6.555 -4.267 6.723 77 2HG2 ILE 12 HG21 ILE 12 -6.016 -4.123 5.050 78 3HG2 ILE 12 HG23 ILE 12 -7.293 -3.070 5.659 79 1HD1 ILE 12 HD13 ILE 12 -10.220 -4.269 4.682 80 2HD1 ILE 12 HD12 ILE 12 -10.090 -3.975 2.948 81 3HD1 ILE 12 HD11 ILE 12 -10.302 -5.618 3.550 82 HA PRO 13 HA PRO 13 -5.535 -7.898 8.827 83 1HB PRO 13 HB2 PRO 13 -2.910 -8.505 8.308 84 2HB PRO 13 HB1 PRO 13 -4.261 -9.618 8.057 85 1HG PRO 13 HG2 PRO 13 -2.638 -8.175 6.041 86 2HG PRO 13 HG1 PRO 13 -3.644 -9.618 5.838 87 1HD PRO 13 HD2 PRO 13 -4.285 -6.926 5.109 88 2HD PRO 13 HD1 PRO 13 -5.352 -8.347 4.995 89 H HIS 14 HN HIS 14 -3.875 -7.176 10.403 90 HA HIS 14 HA HIS 14 -3.566 -4.331 10.367 91 1HB HIS 14 HB2 HIS 14 -2.220 -6.410 12.135 92 2HB HIS 14 HB1 HIS 14 -2.455 -4.713 12.509 93 HD1 HIS 14 HD1 HIS 14 -4.629 -4.055 13.604 94 HD2 HIS 14 HD2 HIS 14 -4.784 -7.865 11.923 95 HE1 HIS 14 HE1 HIS 14 -6.861 -5.054 14.290 96 H ASN 15 HN ASN 15 -1.540 -3.113 10.125 97 HA ASN 15 HA ASN 15 0.569 -2.690 9.196 98 1HB ASN 15 HB2 ASN 15 0.841 -4.965 10.833 99 2HB ASN 15 HB1 ASN 15 1.660 -5.372 9.325 100 1HD2 ASN 15 HD22 ASN 15 3.473 -2.882 11.874 101 2HD2 ASN 15 HD21 ASN 15 2.137 -3.845 12.290 102 HA PRO 16 HA PRO 16 -0.809 -4.907 5.333 103 1HB PRO 16 HB2 PRO 16 -1.922 -2.721 4.102 104 2HB PRO 16 HB1 PRO 16 -2.831 -3.817 5.158 105 1HG PRO 16 HG2 PRO 16 -1.854 -1.055 5.715 106 2HG PRO 16 HG1 PRO 16 -3.226 -1.923 6.423 107 1HD PRO 16 HD2 PRO 16 -0.689 -1.540 7.632 108 2HD PRO 16 HD1 PRO 16 -1.963 -2.645 8.185 109 H LEU 17 HN LEU 17 0.045 -4.531 3.151 110 HA LEU 17 HA LEU 17 1.918 -4.072 1.797 111 1HB LEU 17 HB2 LEU 17 0.707 -1.451 2.612 112 2HB LEU 17 HB1 LEU 17 2.163 -1.457 1.619 113 HG LEU 17 HG LEU 17 1.096 -2.582 -0.159 114 1HD1 LEU 17 HD12 LEU 17 -0.941 -3.372 1.926 115 2HD1 LEU 17 HD11 LEU 17 -1.293 -3.499 0.203 116 3HD1 LEU 17 HD13 LEU 17 0.039 -4.420 0.902 117 1HD2 LEU 17 HD21 LEU 17 -0.640 -0.550 1.201 118 2HD2 LEU 17 HD23 LEU 17 0.216 -0.437 -0.338 119 3HD2 LEU 17 HD22 LEU 17 -1.268 -1.383 -0.221 120 H ASP 18 HN ASP 18 2.856 -4.827 4.324 121 HA ASP 18 HA ASP 18 4.726 -2.823 5.324 122 1HB ASP 18 HB2 ASP 18 5.464 -4.502 6.864 123 2HB ASP 18 HB1 ASP 18 3.722 -4.728 6.697 124 H SER 19 HN SER 19 4.920 -5.690 3.265 125 HA SER 19 HA SER 19 7.767 -5.647 2.905 126 1HB SER 19 HB2 SER 19 5.891 -7.411 2.167 127 2HB SER 19 HB1 SER 19 5.979 -6.503 0.660 128 HG SER 19 HG SER 19 7.695 -7.652 0.295 129 H CYS 20 HN CYS 20 5.126 -3.807 1.616 130 HA CYS 20 HA CYS 20 6.541 -2.724 -0.663 131 1HB CYS 20 HB2 CYS 20 4.190 -1.553 0.850 132 2HB CYS 20 HB1 CYS 20 4.694 -1.147 -0.793 133 H ARG 21 HN ARG 21 6.006 -1.738 2.697 134 HA ARG 21 HA ARG 21 7.187 0.835 2.543 135 1HB ARG 21 HB2 ARG 21 6.759 0.884 4.764 136 2HB ARG 21 HB1 ARG 21 6.041 -0.707 4.542 137 1HG ARG 21 HG2 ARG 21 8.080 -1.806 5.202 138 2HG ARG 21 HG1 ARG 21 8.980 -0.289 5.160 139 1HD ARG 21 HD2 ARG 21 6.865 0.266 6.870 140 2HD ARG 21 HD1 ARG 21 7.308 -1.389 7.287 141 HE ARG 21 HE ARG 21 9.360 0.786 7.200 142 1HH1 ARG 21 HH21 ARG 21 8.659 -2.368 8.121 143 2HH1 ARG 21 HH22 ARG 21 9.334 -2.240 9.710 144 1HH2 ARG 21 HH11 ARG 21 9.859 1.180 9.504 145 2HH2 ARG 21 HH12 ARG 21 10.015 -0.234 10.492 146 H TRP 22 HN TRP 22 8.670 -2.287 3.499 147 HA TRP 22 HA TRP 22 11.317 -1.168 3.606 148 1HB TRP 22 HB2 TRP 22 10.330 -3.999 3.578 149 2HB TRP 22 HB1 TRP 22 12.041 -3.643 3.393 150 HD1 TRP 22 HD1 TRP 22 9.760 -4.349 6.042 151 HE1 TRP 22 HE1 TRP 22 10.559 -3.318 8.285 152 HE3 TRP 22 HE3 TRP 22 13.208 -1.209 4.245 153 HZ2 TRP 22 HZ2 TRP 22 12.486 -1.333 9.155 154 HZ3 TRP 22 HZ3 TRP 22 14.550 0.274 5.743 155 HH2 TRP 22 HH2 TRP 22 14.187 0.205 8.201 156 H TYR 23 HN TYR 23 9.425 -2.541 0.995 157 HA TYR 23 HA TYR 23 11.609 -2.977 -0.811 158 1HB TYR 23 HB2 TYR 23 9.385 -3.908 -1.261 159 2HB TYR 23 HB1 TYR 23 8.718 -2.281 -1.424 160 HD1 TYR 23 HD2 TYR 23 12.113 -3.077 -2.597 161 HD2 TYR 23 HD1 TYR 23 7.993 -2.674 -3.744 162 HE1 TYR 23 HE2 TYR 23 12.781 -3.043 -4.982 163 HE2 TYR 23 HE1 TYR 23 8.662 -2.644 -6.130 164 HH TYR 23 HH TYR 23 11.742 -3.553 -7.189 165 H VAL 24 HN VAL 24 9.802 -0.111 0.155 166 HA VAL 24 HA VAL 24 10.905 1.560 -1.971 167 HB VAL 24 HB VAL 24 9.689 2.327 0.691 168 1HG1 VAL 24 HG11 VAL 24 11.144 3.842 -1.322 169 2HG1 VAL 24 HG13 VAL 24 9.509 4.465 -1.093 170 3HG1 VAL 24 HG12 VAL 24 10.607 4.342 0.283 171 1HG2 VAL 24 HG21 VAL 24 8.576 1.504 -1.854 172 2HG2 VAL 24 HG23 VAL 24 7.734 1.874 -0.349 173 3HG2 VAL 24 HG22 VAL 24 8.108 3.165 -1.488 174 H SER 25 HN SER 25 11.615 0.974 1.464 175 HA SER 25 HA SER 25 13.707 2.804 1.800 176 1HB SER 25 HB2 SER 25 14.236 0.160 2.982 177 2HB SER 25 HB1 SER 25 14.087 1.732 3.762 178 HG SER 25 HG SER 25 12.198 1.005 4.336 179 H THR 26 HN THR 26 13.815 -0.463 0.389 180 HA THR 26 HA THR 26 16.691 -0.382 -0.044 181 HB THR 26 HB THR 26 14.468 -2.257 -0.823 182 HG1 THR 26 HG1 THR 26 16.634 -3.322 0.330 183 1HG2 THR 26 HG21 THR 26 17.296 -2.206 -1.877 184 2HG2 THR 26 HG23 THR 26 16.402 -3.719 -1.733 185 3HG2 THR 26 HG22 THR 26 15.794 -2.431 -2.773 186 H ARG 27 HN ARG 27 13.956 -0.389 -2.382 187 HA ARG 27 HA ARG 27 15.540 0.062 -4.679 188 1HB ARG 27 HB2 ARG 27 13.056 -0.526 -4.588 189 2HB ARG 27 HB1 ARG 27 12.760 1.192 -4.325 190 1HG ARG 27 HG2 ARG 27 12.610 0.549 -6.732 191 2HG ARG 27 HG1 ARG 27 13.866 1.748 -6.424 192 1HD ARG 27 HD2 ARG 27 15.594 0.220 -6.739 193 2HD ARG 27 HD1 ARG 27 14.578 -1.165 -6.336 194 HE ARG 27 HE ARG 27 13.507 -0.891 -8.573 195 1HH1 ARG 27 HH21 ARG 27 14.231 1.762 -9.449 196 2HH1 ARG 27 HH22 ARG 27 15.643 1.520 -10.421 197 1HH2 ARG 27 HH11 ARG 27 16.297 -1.644 -9.166 198 2HH2 ARG 27 HH12 ARG 27 16.811 -0.405 -10.261 199 H THR 28 HN THR 28 14.558 2.320 -2.207 200 HA THR 28 HA THR 28 15.327 4.611 -3.920 201 HB THR 28 HB THR 28 14.421 5.991 -2.078 202 HG1 THR 28 HG1 THR 28 13.402 4.817 -0.358 203 1HG2 THR 28 HG21 THR 28 12.971 4.870 -3.880 204 2HG2 THR 28 HG23 THR 28 12.501 3.731 -2.618 205 3HG2 THR 28 HG22 THR 28 12.142 5.448 -2.434 206 H CYS 29 HN CYS 29 16.069 3.688 -0.528 207 HA CYS 29 HA CYS 29 18.668 5.087 -0.812 208 1HB CYS 29 HB2 CYS 29 17.135 4.087 1.601 209 2HB CYS 29 HB1 CYS 29 18.746 4.801 1.695 210 H GLY 30 HN GLY 30 17.871 2.242 -1.745 211 1HA GLY 30 HA2 GLY 30 18.894 0.116 -1.808 212 2HA GLY 30 HA1 GLY 30 20.382 0.997 -1.455 213 H VAL 31 HN VAL 31 17.837 1.312 0.852 214 HA VAL 31 HA VAL 31 19.363 -0.458 2.711 215 HB VAL 31 HB VAL 31 17.523 1.897 3.239 216 1HG1 VAL 31 HG12 VAL 31 18.003 -0.340 4.902 217 2HG1 VAL 31 HG11 VAL 31 18.999 0.964 5.539 218 3HG1 VAL 31 HG13 VAL 31 17.261 1.190 5.361 219 1HG2 VAL 31 HG23 VAL 31 20.401 1.528 2.928 220 2HG2 VAL 31 HG22 VAL 31 19.469 3.023 2.990 221 3HG2 VAL 31 HG21 VAL 31 19.995 2.249 4.485 222 H GLY 32 HN GLY 32 18.157 -1.971 3.998 223 1HA GLY 32 HA2 GLY 32 15.615 -2.478 4.505 224 2HA GLY 32 HA1 GLY 32 15.592 -2.705 2.751 225 HA PRO 33 HA PRO 33 17.139 -6.625 4.948 226 1HB PRO 33 HB2 PRO 33 15.153 -8.342 4.067 227 2HB PRO 33 HB1 PRO 33 15.133 -7.517 5.637 228 1HG PRO 33 HG2 PRO 33 13.631 -6.848 3.129 229 2HG PRO 33 HG1 PRO 33 13.131 -6.668 4.821 230 1HD PRO 33 HD2 PRO 33 13.986 -4.571 3.269 231 2HD PRO 33 HD1 PRO 33 14.129 -4.610 5.042 232 H ARG 34 HN ARG 34 17.719 -8.734 3.647 233 HA ARG 34 HA ARG 34 18.551 -7.834 0.959 234 1HB ARG 34 HB2 ARG 34 19.915 -9.948 1.002 235 2HB ARG 34 HB1 ARG 34 20.276 -8.839 2.326 236 1HG ARG 34 HG2 ARG 34 18.102 -10.705 2.955 237 2HG ARG 34 HG1 ARG 34 19.634 -11.514 2.619 238 1HD ARG 34 HD2 ARG 34 19.929 -9.129 4.302 239 2HD ARG 34 HD1 ARG 34 18.934 -10.383 5.039 240 HE ARG 34 HE ARG 34 20.987 -11.903 4.334 241 1HH1 ARG 34 HH11 ARG 34 20.705 -9.465 6.567 242 2HH1 ARG 34 HH12 ARG 34 22.403 -9.203 6.786 243 1HH2 ARG 34 HH21 ARG 34 23.326 -11.215 4.116 244 2HH2 ARG 34 HH22 ARG 34 23.888 -10.195 5.397 245 H LEU 35 HN LEU 35 16.062 -8.036 0.517 246 HA LEU 35 HA LEU 35 15.428 -10.822 -0.350 247 1HB LEU 35 HB2 LEU 35 13.810 -9.509 1.159 248 2HB LEU 35 HB1 LEU 35 13.510 -8.482 -0.244 249 HG LEU 35 HG LEU 35 13.271 -11.488 -0.404 250 1HD1 LEU 35 HD12 LEU 35 11.631 -9.737 1.133 251 2HD1 LEU 35 HD11 LEU 35 10.716 -10.188 -0.304 252 3HD1 LEU 35 HD13 LEU 35 11.349 -11.439 0.765 253 1HD2 LEU 35 HD23 LEU 35 12.376 -9.116 -2.048 254 2HD2 LEU 35 HD22 LEU 35 13.350 -10.495 -2.555 255 3HD2 LEU 35 HD21 LEU 35 11.627 -10.702 -2.239 256 H ALA 36 HN ALA 36 15.771 -11.181 -2.498 257 HA ALA 36 HA ALA 36 16.731 -9.431 -4.371 258 1HB ALA 36 HB1 ALA 36 14.917 -11.810 -4.670 259 2HB ALA 36 HB3 ALA 36 15.413 -10.889 -6.091 260 3HB ALA 36 HB2 ALA 36 16.627 -11.662 -5.072 261 H THR 37 HN THR 37 15.885 -7.699 -5.610 262 HA THR 37 HA THR 37 13.589 -6.322 -4.818 263 HB THR 37 HB THR 37 14.370 -6.176 -7.694 264 HG1 THR 37 HG1 THR 37 16.385 -6.232 -7.090 265 1HG2 THR 37 HG23 THR 37 12.913 -4.609 -5.978 266 2HG2 THR 37 HG22 THR 37 14.496 -3.830 -5.924 267 3HG2 THR 37 HG21 THR 37 13.664 -4.034 -7.466 268 H GLN 38 HN GLN 38 13.817 -8.414 -7.740 269 HA GLN 38 HA GLN 38 11.149 -8.152 -8.552 270 1HB GLN 38 HB2 GLN 38 12.857 -9.380 -9.857 271 2HB GLN 38 HB1 GLN 38 12.833 -10.675 -8.659 272 1HG GLN 38 HG2 GLN 38 10.135 -10.201 -9.383 273 2HG GLN 38 HG1 GLN 38 11.055 -10.256 -10.886 274 1HE2 GLN 38 HE22 GLN 38 11.720 -13.722 -10.663 275 2HE2 GLN 38 HE21 GLN 38 11.984 -12.282 -11.521 276 H GLU 39 HN GLU 39 12.464 -10.410 -6.150 277 HA GLU 39 HA GLU 39 9.971 -11.737 -5.636 278 1HB GLU 39 HB2 GLU 39 12.442 -11.406 -3.910 279 2HB GLU 39 HB1 GLU 39 11.100 -12.485 -3.528 280 1HG GLU 39 HG2 GLU 39 12.314 -12.704 -6.246 281 2HG GLU 39 HG1 GLU 39 13.244 -13.335 -4.888 282 H MET 40 HN MET 40 11.407 -8.755 -4.445 283 HA MET 40 HA MET 40 9.654 -8.430 -2.172 284 1HB MET 40 HB2 MET 40 11.864 -7.157 -2.836 285 2HB MET 40 HB1 MET 40 10.768 -6.111 -3.728 286 1HG MET 40 HG2 MET 40 10.956 -5.102 -1.584 287 2HG MET 40 HG1 MET 40 9.405 -5.942 -1.561 288 1HE MET 40 HE2 MET 40 9.405 -5.709 0.953 289 2HE MET 40 HE1 MET 40 10.578 -6.392 2.072 290 3HE MET 40 HE3 MET 40 11.016 -5.005 1.066 291 H LYS 41 HN LYS 41 9.702 -6.773 -5.331 292 HA LYS 41 HA LYS 41 7.195 -5.523 -5.172 293 1HB LYS 41 HB2 LYS 41 8.582 -4.994 -7.041 294 2HB LYS 41 HB1 LYS 41 8.689 -6.685 -7.533 295 1HG LYS 41 HG2 LYS 41 5.927 -5.701 -7.372 296 2HG LYS 41 HG1 LYS 41 6.906 -4.841 -8.562 297 1HD LYS 41 HD2 LYS 41 6.690 -7.860 -8.383 298 2HD LYS 41 HD1 LYS 41 5.776 -6.859 -9.512 299 1HE LYS 41 HE2 LYS 41 7.620 -6.389 -10.806 300 2HE LYS 41 HE1 LYS 41 8.730 -6.467 -9.437 301 1HZ LYS 41 HZ1 LYS 41 7.418 -8.960 -10.086 302 2HZ LYS 41 HZ3 LYS 41 8.471 -8.387 -11.286 303 3HZ LYS 41 HZ2 LYS 41 9.047 -8.650 -9.710 304 H ALA 42 HN ALA 42 7.977 -8.854 -6.099 305 HA ALA 42 HA ALA 42 5.355 -9.635 -6.908 306 1HB ALA 42 HB2 ALA 42 7.877 -10.962 -6.224 307 2HB ALA 42 HB1 ALA 42 6.458 -11.907 -5.768 308 3HB ALA 42 HB3 ALA 42 6.676 -11.395 -7.442 309 H ARG 43 HN ARG 43 6.961 -9.640 -3.738 310 HA ARG 43 HA ARG 43 4.887 -10.926 -2.274 311 1HB ARG 43 HB2 ARG 43 7.101 -9.027 -1.579 312 2HB ARG 43 HB1 ARG 43 5.859 -9.362 -0.372 313 1HG ARG 43 HG2 ARG 43 6.490 -11.562 -0.128 314 2HG ARG 43 HG1 ARG 43 7.025 -11.703 -1.804 315 1HD ARG 43 HD2 ARG 43 9.076 -10.607 -1.359 316 2HD ARG 43 HD1 ARG 43 8.500 -9.973 0.182 317 HE ARG 43 HE ARG 43 9.268 -11.971 1.146 318 1HH1 ARG 43 HH21 ARG 43 7.278 -13.795 0.065 319 2HH1 ARG 43 HH22 ARG 43 8.202 -14.877 -0.923 320 1HH2 ARG 43 HH11 ARG 43 10.965 -12.791 -1.091 321 2HH2 ARG 43 HH12 ARG 43 10.288 -14.309 -1.577 322 H CYS 44 HN CYS 44 5.466 -7.458 -2.916 323 HA CYS 44 HA CYS 44 3.195 -6.491 -1.491 324 1HB CYS 44 HB2 CYS 44 4.805 -5.395 -3.778 325 2HB CYS 44 HB1 CYS 44 3.335 -4.576 -3.238 326 H CYS 45 HN CYS 45 3.497 -7.678 -4.861 327 HA CYS 45 HA CYS 45 0.812 -6.866 -5.588 328 1HB CYS 45 HB2 CYS 45 2.691 -8.916 -6.801 329 2HB CYS 45 HB1 CYS 45 1.128 -8.496 -7.490 330 H ARG 46 HN ARG 46 2.188 -9.671 -4.010 331 HA ARG 46 HA ARG 46 -0.176 -11.331 -4.340 332 1HB ARG 46 HB2 ARG 46 2.284 -11.992 -3.711 333 2HB ARG 46 HB1 ARG 46 1.770 -11.649 -2.069 334 1HG ARG 46 HG2 ARG 46 1.452 -14.045 -2.669 335 2HG ARG 46 HG1 ARG 46 -0.063 -13.242 -2.253 336 1HD ARG 46 HD2 ARG 46 -0.048 -14.711 -4.378 337 2HD ARG 46 HD1 ARG 46 -0.742 -13.097 -4.515 338 HE ARG 46 HE ARG 46 2.084 -13.642 -5.329 339 1HH1 ARG 46 HH21 ARG 46 -0.985 -13.463 -6.620 340 2HH1 ARG 46 HH22 ARG 46 -0.634 -12.213 -7.766 341 1HH2 ARG 46 HH11 ARG 46 2.513 -11.546 -6.475 342 2HH2 ARG 46 HH12 ARG 46 1.345 -11.127 -7.684 343 H GLN 47 HN GLN 47 0.972 -8.955 -2.030 344 HA GLN 47 HA GLN 47 -1.082 -9.555 -0.043 345 1HB GLN 47 HB2 GLN 47 0.413 -6.942 -0.253 346 2HB GLN 47 HB1 GLN 47 -0.188 -7.753 1.194 347 1HG GLN 47 HG2 GLN 47 1.617 -9.505 -0.221 348 2HG GLN 47 HG1 GLN 47 2.401 -7.953 0.075 349 1HE2 GLN 47 HE22 GLN 47 2.337 -8.313 3.642 350 2HE2 GLN 47 HE21 GLN 47 2.368 -7.168 2.389 351 H LEU 48 HN LEU 48 -0.690 -7.234 -2.688 352 HA LEU 48 HA LEU 48 -3.083 -5.737 -2.066 353 1HB LEU 48 HB2 LEU 48 -1.149 -4.953 -3.537 354 2HB LEU 48 HB1 LEU 48 -1.795 -6.010 -4.794 355 HG LEU 48 HG LEU 48 -3.783 -4.244 -3.499 356 1HD1 LEU 48 HD11 LEU 48 -1.319 -3.107 -4.196 357 2HD1 LEU 48 HD13 LEU 48 -2.371 -2.770 -5.572 358 3HD1 LEU 48 HD12 LEU 48 -2.839 -2.246 -3.954 359 1HD2 LEU 48 HD22 LEU 48 -3.503 -5.776 -5.846 360 2HD2 LEU 48 HD21 LEU 48 -4.852 -4.719 -5.431 361 3HD2 LEU 48 HD23 LEU 48 -3.506 -4.096 -6.384 362 H GLU 49 HN GLU 49 -2.340 -8.549 -4.085 363 HA GLU 49 HA GLU 49 -4.946 -8.704 -5.314 364 1HB GLU 49 HB2 GLU 49 -2.908 -9.914 -6.158 365 2HB GLU 49 HB1 GLU 49 -3.007 -10.976 -4.753 366 1HG GLU 49 HG2 GLU 49 -4.167 -12.181 -6.409 367 2HG GLU 49 HG1 GLU 49 -5.462 -11.381 -5.516 368 H ALA 50 HN ALA 50 -3.485 -10.433 -2.513 369 HA ALA 50 HA ALA 50 -5.733 -11.904 -1.692 370 1HB ALA 50 HB3 ALA 50 -3.326 -10.850 -0.414 371 2HB ALA 50 HB2 ALA 50 -4.701 -10.840 0.689 372 3HB ALA 50 HB1 ALA 50 -4.196 -12.346 -0.077 373 H ILE 51 HN ILE 51 -4.847 -8.562 -0.931 374 HA ILE 51 HA ILE 51 -7.266 -7.829 0.417 375 HB ILE 51 HB ILE 51 -5.318 -6.148 -1.198 376 1HG1 ILE 51 HG12 ILE 51 -4.379 -7.381 0.781 377 2HG1 ILE 51 HG11 ILE 51 -4.311 -5.627 0.955 378 1HG2 ILE 51 HG23 ILE 51 -7.682 -5.215 -0.752 379 2HG2 ILE 51 HG22 ILE 51 -7.207 -5.172 0.945 380 3HG2 ILE 51 HG21 ILE 51 -6.314 -4.222 -0.243 381 1HD1 ILE 51 HD12 ILE 51 -6.549 -7.340 2.068 382 2HD1 ILE 51 HD11 ILE 51 -5.148 -6.826 3.007 383 3HD1 ILE 51 HD13 ILE 51 -6.272 -5.625 2.370 384 HA PRO 52 HA PRO 52 -9.542 -8.402 -3.417 385 1HB PRO 52 HB2 PRO 52 -12.027 -7.998 -2.274 386 2HB PRO 52 HB1 PRO 52 -11.168 -9.549 -2.289 387 1HG PRO 52 HG2 PRO 52 -11.457 -7.575 -0.049 388 2HG PRO 52 HG1 PRO 52 -11.339 -9.344 0.019 389 1HD PRO 52 HD2 PRO 52 -9.228 -7.635 0.592 390 2HD PRO 52 HD1 PRO 52 -9.026 -9.313 0.047 391 H ALA 53 HN ALA 53 -10.281 -6.936 -4.909 392 HA ALA 53 HA ALA 53 -9.653 -4.292 -4.929 393 1HB ALA 53 HB1 ALA 53 -11.370 -5.959 -6.451 394 2HB ALA 53 HB3 ALA 53 -12.253 -4.466 -6.129 395 3HB ALA 53 HB2 ALA 53 -10.677 -4.406 -6.920 396 H TYR 54 HN TYR 54 -12.367 -5.685 -3.189 397 HA TYR 54 HA TYR 54 -13.751 -3.226 -2.649 398 1HB TYR 54 HB2 TYR 54 -14.158 -5.911 -2.065 399 2HB TYR 54 HB1 TYR 54 -13.828 -5.203 -0.484 400 HD1 TYR 54 HD1 TYR 54 -15.755 -4.393 -3.607 401 HD2 TYR 54 HD2 TYR 54 -15.627 -4.308 0.687 402 HE1 TYR 54 HE1 TYR 54 -18.045 -3.443 -3.556 403 HE2 TYR 54 HE2 TYR 54 -17.916 -3.356 0.736 404 HH TYR 54 HH TYR 54 -19.764 -2.860 -2.267 405 H CYS 55 HN CYS 55 -12.932 -1.537 -1.498 406 HA CYS 55 HA CYS 55 -11.746 -0.342 0.139 407 1HB CYS 55 HB2 CYS 55 -11.809 -3.084 1.420 408 2HB CYS 55 HB1 CYS 55 -11.049 -1.695 2.193 409 H ARG 56 HN ARG 56 -10.375 -2.364 -2.015 410 HA ARG 56 HA ARG 56 -7.849 -3.148 -1.220 411 1HB ARG 56 HB2 ARG 56 -9.027 -2.197 -3.722 412 2HB ARG 56 HB1 ARG 56 -7.314 -1.805 -3.608 413 1HG ARG 56 HG2 ARG 56 -6.915 -4.227 -2.944 414 2HG ARG 56 HG1 ARG 56 -8.593 -4.542 -3.392 415 1HD ARG 56 HD2 ARG 56 -8.041 -3.472 -5.650 416 2HD ARG 56 HD1 ARG 56 -6.348 -3.571 -5.172 417 HE ARG 56 HE ARG 56 -7.128 -6.144 -4.807 418 1HH1 ARG 56 HH11 ARG 56 -9.347 -6.408 -6.444 419 2HH1 ARG 56 HH12 ARG 56 -8.754 -6.498 -8.069 420 1HH2 ARG 56 HH21 ARG 56 -5.642 -5.181 -7.290 421 2HH2 ARG 56 HH22 ARG 56 -6.658 -5.804 -8.548 422 H CYS 57 HN CYS 57 -7.796 -0.116 -3.030 423 HA CYS 57 HA CYS 57 -5.585 1.102 -2.169 424 1HB CYS 57 HB2 CYS 57 -8.313 2.298 -2.521 425 2HB CYS 57 HB1 CYS 57 -6.949 3.319 -2.063 426 H GLU 58 HN GLU 58 -8.533 1.335 -0.060 427 HA GLU 58 HA GLU 58 -7.767 2.899 1.983 428 1HB GLU 58 HB2 GLU 58 -9.220 0.339 1.907 429 2HB GLU 58 HB1 GLU 58 -8.577 0.769 3.491 430 1HG GLU 58 HG2 GLU 58 -9.775 3.060 2.139 431 2HG GLU 58 HG1 GLU 58 -10.930 1.745 2.358 432 H ALA 59 HN ALA 59 -6.545 -0.480 1.777 433 HA ALA 59 HA ALA 59 -4.957 -0.719 3.972 434 1HB ALA 59 HB3 ALA 59 -4.880 -1.769 1.315 435 2HB ALA 59 HB2 ALA 59 -3.230 -1.405 1.821 436 3HB ALA 59 HB1 ALA 59 -4.233 -2.485 2.791 437 H VAL 60 HN VAL 60 -3.810 0.937 1.045 438 HA VAL 60 HA VAL 60 -1.366 1.894 2.046 439 HB VAL 60 HB VAL 60 -3.163 3.516 0.233 440 1HG1 VAL 60 HG12 VAL 60 -0.263 3.382 0.897 441 2HG1 VAL 60 HG11 VAL 60 -0.680 3.689 -0.789 442 3HG1 VAL 60 HG13 VAL 60 -1.256 4.778 0.475 443 1HG2 VAL 60 HG23 VAL 60 -2.246 0.816 -0.132 444 2HG2 VAL 60 HG22 VAL 60 -3.160 1.824 -1.253 445 3HG2 VAL 60 HG21 VAL 60 -1.397 1.865 -1.267 446 H ARG 61 HN ARG 61 -4.556 3.519 2.118 447 HA ARG 61 HA ARG 61 -3.768 5.851 3.507 448 1HB ARG 61 HB2 ARG 61 -6.059 5.317 2.495 449 2HB ARG 61 HB1 ARG 61 -6.393 4.423 3.979 450 1HG ARG 61 HG2 ARG 61 -6.488 6.326 5.272 451 2HG ARG 61 HG1 ARG 61 -5.326 7.194 4.270 452 1HD ARG 61 HD2 ARG 61 -7.204 8.298 3.563 453 2HD ARG 61 HD1 ARG 61 -7.336 6.910 2.483 454 HE ARG 61 HE ARG 61 -8.818 5.924 4.379 455 1HH1 ARG 61 HH21 ARG 61 -9.765 7.252 6.315 456 2HH1 ARG 61 HH22 ARG 61 -10.730 8.588 5.780 457 1HH2 ARG 61 HH11 ARG 61 -9.492 8.530 2.542 458 2HH2 ARG 61 HH12 ARG 61 -10.575 9.310 3.645 459 H ILE 62 HN ILE 62 -4.312 2.595 4.677 460 HA ILE 62 HA ILE 62 -4.344 3.344 7.498 461 HB ILE 62 HB ILE 62 -4.160 0.733 5.989 462 1HG1 ILE 62 HG12 ILE 62 -6.154 1.600 8.084 463 2HG1 ILE 62 HG11 ILE 62 -6.339 2.055 6.390 464 1HG2 ILE 62 HG22 ILE 62 -3.614 1.283 8.889 465 2HG2 ILE 62 HG21 ILE 62 -4.429 -0.215 8.435 466 3HG2 ILE 62 HG23 ILE 62 -2.821 0.141 7.802 467 1HD1 ILE 62 HD13 ILE 62 -5.892 -0.553 6.028 468 2HD1 ILE 62 HD12 ILE 62 -6.546 -0.639 7.663 469 3HD1 ILE 62 HD11 ILE 62 -7.509 0.065 6.366 470 H LEU 63 HN LEU 63 -1.877 2.452 5.153 471 HA LEU 63 HA LEU 63 0.120 1.957 7.211 472 1HB LEU 63 HB2 LEU 63 0.453 0.851 5.104 473 2HB LEU 63 HB1 LEU 63 0.328 2.373 4.219 474 HG LEU 63 HG LEU 63 2.364 3.162 5.523 475 1HD1 LEU 63 HD13 LEU 63 2.128 0.326 6.460 476 2HD1 LEU 63 HD12 LEU 63 3.738 1.015 6.248 477 3HD1 LEU 63 HD11 LEU 63 2.597 1.764 7.364 478 1HD2 LEU 63 HD22 LEU 63 2.308 0.983 3.478 479 2HD2 LEU 63 HD21 LEU 63 2.943 2.623 3.351 480 3HD2 LEU 63 HD23 LEU 63 3.866 1.384 4.200 481 H MET 64 HN MET 64 -0.614 4.679 5.018 482 HA MET 64 HA MET 64 1.521 6.287 6.192 483 1HB MET 64 HB2 MET 64 0.566 6.532 3.816 484 2HB MET 64 HB1 MET 64 -0.802 7.357 4.567 485 1HG MET 64 HG2 MET 64 0.961 8.825 5.740 486 2HG MET 64 HG1 MET 64 2.099 8.182 4.554 487 1HE MET 64 HE3 MET 64 -0.997 9.836 5.420 488 2HE MET 64 HE2 MET 64 -1.377 11.001 4.154 489 3HE MET 64 HE1 MET 64 -1.896 9.327 3.984 490 H ASP 65 HN ASP 65 -2.073 6.386 6.350 491 HA ASP 65 HA ASP 65 -1.911 8.372 8.500 492 1HB ASP 65 HB2 ASP 65 -4.256 7.054 7.093 493 2HB ASP 65 HB1 ASP 65 -4.485 7.900 8.624 494 H GLY 66 HN GLY 66 -1.969 4.927 8.326 495 1HA GLY 66 HA2 GLY 66 -1.554 3.485 10.169 496 2HA GLY 66 HA1 GLY 66 -1.863 4.836 11.261 497 H VAL 67 HN VAL 67 -2.967 2.136 11.378 498 HA VAL 67 HA VAL 67 -5.871 2.749 11.032 499 HB VAL 67 HB VAL 67 -5.436 0.892 9.638 500 1HG1 VAL 67 HG13 VAL 67 -3.126 0.496 10.511 501 2HG1 VAL 67 HG12 VAL 67 -3.831 -0.338 11.896 502 3HG1 VAL 67 HG11 VAL 67 -4.034 -0.997 10.273 503 1HG2 VAL 67 HG21 VAL 67 -7.315 0.552 11.276 504 2HG2 VAL 67 HG23 VAL 67 -6.606 -0.952 10.687 505 3HG2 VAL 67 HG22 VAL 67 -6.195 -0.353 12.294 506 H VAL 68 HN VAL 68 -7.281 1.811 12.731 507 HA VAL 68 HA VAL 68 -5.840 1.696 15.345 508 HB VAL 68 HB VAL 68 -8.529 2.829 14.576 509 1HG1 VAL 68 HG13 VAL 68 -8.851 1.301 16.531 510 2HG1 VAL 68 HG12 VAL 68 -7.595 2.188 17.394 511 3HG1 VAL 68 HG11 VAL 68 -9.098 2.997 16.951 512 1HG2 VAL 68 HG23 VAL 68 -5.938 3.776 15.679 513 2HG2 VAL 68 HG22 VAL 68 -7.080 4.605 14.621 514 3HG2 VAL 68 HG21 VAL 68 -7.386 4.521 16.357 515 H THR 69 HN THR 69 -6.778 0.292 16.958 516 HA THR 69 HA THR 69 -8.126 -2.074 15.758 517 HB THR 69 HB THR 69 -6.910 -3.410 17.462 518 HG1 THR 69 HG1 THR 69 -5.024 -1.863 18.224 519 1HG2 THR 69 HG22 THR 69 -5.984 -2.512 15.100 520 2HG2 THR 69 HG21 THR 69 -4.760 -1.820 16.165 521 3HG2 THR 69 HG23 THR 69 -5.036 -3.562 16.155 522 H SER 70 HN SER 70 -9.495 -3.283 17.211 523 HA SER 70 HA SER 70 -11.341 -1.644 18.642 524 1HB SER 70 HB2 SER 70 -11.906 -3.823 17.561 525 2HB SER 70 HB1 SER 70 -10.972 -4.646 18.805 526 HG SER 70 HG SER 70 -13.389 -4.285 19.063 527 H SER 71 HN SER 71 -8.495 -3.347 19.585 528 HA SER 71 HA SER 71 -9.028 -3.438 22.424 529 1HB SER 71 HB2 SER 71 -6.445 -3.647 22.495 530 2HB SER 71 HB1 SER 71 -7.349 -4.926 21.686 531 HG SER 71 HG SER 71 -6.778 -4.099 19.742 532 H GLY 72 HN GLY 72 -8.175 -0.926 20.263 533 1HA GLY 72 HA2 GLY 72 -8.217 1.411 20.995 534 2HA GLY 72 HA1 GLY 72 -7.681 0.864 22.589 535 H GLN 73 HN GLN 73 -6.031 -0.800 20.130 536 HA GLN 73 HA GLN 73 -3.635 0.915 20.618 537 1HB GLN 73 HB2 GLN 73 -3.983 -1.969 19.781 538 2HB GLN 73 HB1 GLN 73 -2.431 -1.141 19.663 539 1HG GLN 73 HG2 GLN 73 -2.936 -0.474 22.163 540 2HG GLN 73 HG1 GLN 73 -4.001 -1.879 22.110 541 1HE2 GLN 73 HE22 GLN 73 -1.077 -3.697 23.022 542 2HE2 GLN 73 HE21 GLN 73 -2.559 -3.079 23.574 543 H HIS 74 HN HIS 74 -2.221 1.383 18.755 544 HA HIS 74 HA HIS 74 -3.761 1.464 16.198 545 1HB HIS 74 HB2 HIS 74 -1.728 3.342 17.397 546 2HB HIS 74 HB1 HIS 74 -2.144 3.384 15.697 547 HD1 HIS 74 HD1 HIS 74 -3.455 5.562 15.648 548 HD2 HIS 74 HD2 HIS 74 -4.849 2.919 18.553 549 HE1 HIS 74 HE1 HIS 74 -5.603 6.553 16.547 550 H GLU 75 HN GLU 75 -2.475 1.143 14.253 551 HA GLU 75 HA GLU 75 0.212 -0.041 14.676 552 1HB GLU 75 HB2 GLU 75 -1.968 -1.437 13.108 553 2HB GLU 75 HB1 GLU 75 -0.336 -2.034 13.407 554 1HG GLU 75 HG2 GLU 75 -1.013 -1.683 15.941 555 2HG GLU 75 HG1 GLU 75 -2.651 -1.817 15.299 556 H GLY 76 HN GLY 76 0.913 -0.832 12.261 557 1HA GLY 76 HA2 GLY 76 1.618 -0.071 10.159 558 2HA GLY 76 HA1 GLY 76 0.042 0.714 10.029 559 H ARG 77 HN ARG 77 0.649 2.732 9.296 560 HA ARG 77 HA ARG 77 1.624 4.877 9.349 561 1HB ARG 77 HB2 ARG 77 0.484 4.351 11.819 562 2HB ARG 77 HB1 ARG 77 2.112 4.889 12.232 563 1HG ARG 77 HG2 ARG 77 0.948 6.516 10.117 564 2HG ARG 77 HG1 ARG 77 -0.047 6.530 11.574 565 1HD ARG 77 HD2 ARG 77 2.442 6.782 12.658 566 2HD ARG 77 HD1 ARG 77 2.659 7.637 11.131 567 HE ARG 77 HE ARG 77 0.530 8.342 13.113 568 1HH1 ARG 77 HH11 ARG 77 -0.126 9.686 10.716 569 2HH1 ARG 77 HH12 ARG 77 0.851 11.116 10.707 570 1HH2 ARG 77 HH21 ARG 77 3.078 9.930 13.087 571 2HH2 ARG 77 HH22 ARG 77 2.666 11.255 12.050 572 H LEU 78 HN LEU 78 3.449 2.552 9.055 573 HA LEU 78 HA LEU 78 5.795 3.133 10.691 574 1HB LEU 78 HB2 LEU 78 5.469 1.373 8.236 575 2HB LEU 78 HB1 LEU 78 6.921 1.451 9.235 576 HG LEU 78 HG LEU 78 4.567 1.049 10.880 577 1HD1 LEU 78 HD13 LEU 78 4.443 -0.244 8.366 578 2HD1 LEU 78 HD12 LEU 78 4.939 -1.475 9.527 579 3HD1 LEU 78 HD11 LEU 78 3.448 -0.570 9.785 580 1HD2 LEU 78 HD23 LEU 78 7.205 -0.306 10.347 581 2HD2 LEU 78 HD22 LEU 78 6.650 0.494 11.817 582 3HD2 LEU 78 HD21 LEU 78 6.002 -1.085 11.376 583 H LEU 79 HN LEU 79 4.537 4.277 7.637 584 HA LEU 79 HA LEU 79 6.803 5.049 6.225 585 1HB LEU 79 HB2 LEU 79 4.121 5.696 6.111 586 2HB LEU 79 HB1 LEU 79 4.863 7.244 6.515 587 HG LEU 79 HG LEU 79 6.527 6.098 4.550 588 1HD1 LEU 79 HD11 LEU 79 4.391 4.642 4.208 589 2HD1 LEU 79 HD13 LEU 79 3.696 6.110 3.522 590 3HD1 LEU 79 HD12 LEU 79 5.133 5.392 2.795 591 1HD2 LEU 79 HD22 LEU 79 4.950 8.464 5.034 592 2HD2 LEU 79 HD21 LEU 79 6.383 8.285 4.021 593 3HD2 LEU 79 HD23 LEU 79 4.781 7.982 3.345 594 H GLN 80 HN GLN 80 8.611 5.643 7.468 595 HA GLN 80 HA GLN 80 8.396 8.300 8.774 596 1HB GLN 80 HB2 GLN 80 9.439 5.797 10.128 597 2HB GLN 80 HB1 GLN 80 9.714 7.428 10.738 598 1HG GLN 80 HG2 GLN 80 7.328 7.802 10.977 599 2HG GLN 80 HG1 GLN 80 6.969 6.256 10.206 600 1HE2 GLN 80 HE22 GLN 80 8.497 6.212 14.033 601 2HE2 GLN 80 HE21 GLN 80 8.857 7.524 13.018 602 H ASP 81 HN ASP 81 10.680 8.980 9.506 603 HA ASP 81 HA ASP 81 12.352 9.190 7.252 604 1HB ASP 81 HB2 ASP 81 13.178 9.437 10.167 605 2HB ASP 81 HB1 ASP 81 13.994 10.162 8.780 606 H LEU 82 HN LEU 82 14.107 8.097 6.555 607 HA LEU 82 HA LEU 82 15.075 5.714 8.046 608 1HB LEU 82 HB2 LEU 82 14.058 5.922 5.212 609 2HB LEU 82 HB1 LEU 82 15.277 4.721 5.605 610 HG LEU 82 HG LEU 82 12.596 5.023 6.989 611 1HD1 LEU 82 HD13 LEU 82 12.750 4.054 4.574 612 2HD1 LEU 82 HD12 LEU 82 13.511 2.666 5.352 613 3HD1 LEU 82 HD11 LEU 82 11.868 3.133 5.793 614 1HD2 LEU 82 HD22 LEU 82 15.067 3.698 7.728 615 2HD2 LEU 82 HD21 LEU 82 13.576 3.857 8.655 616 3HD2 LEU 82 HD23 LEU 82 13.771 2.519 7.523 617 HA PRO 83 HA PRO 83 19.028 7.297 7.061 618 1HB PRO 83 HB2 PRO 83 20.431 5.185 5.957 619 2HB PRO 83 HB1 PRO 83 20.113 5.383 7.690 620 1HG PRO 83 HG2 PRO 83 18.761 3.573 5.719 621 2HG PRO 83 HG1 PRO 83 19.062 3.325 7.449 622 1HD PRO 83 HD2 PRO 83 16.605 4.061 6.400 623 2HD PRO 83 HD1 PRO 83 17.102 4.386 8.071 624 H GLY 84 HN GLY 84 18.616 8.822 5.499 625 1HA GLY 84 HA2 GLY 84 19.168 9.780 3.398 626 2HA GLY 84 HA1 GLY 84 19.435 8.164 2.736 627 H CYS 85 HN CYS 85 16.554 7.805 4.293 628 HA CYS 85 HA CYS 85 15.008 8.709 1.897 629 1HB CYS 85 HB2 CYS 85 14.882 6.180 3.502 630 2HB CYS 85 HB1 CYS 85 13.432 6.770 2.694 631 HA PRO 86 HA PRO 86 13.205 10.841 5.557 632 1HB PRO 86 HB2 PRO 86 12.607 13.159 4.195 633 2HB PRO 86 HB1 PRO 86 14.151 12.852 4.990 634 1HG PRO 86 HG2 PRO 86 13.500 12.815 2.088 635 2HG PRO 86 HG1 PRO 86 15.051 13.134 2.881 636 1HD PRO 86 HD2 PRO 86 14.310 10.728 1.624 637 2HD PRO 86 HD1 PRO 86 15.690 10.937 2.723 638 H ARG 87 HN ARG 87 10.957 11.604 5.916 639 HA ARG 87 HA ARG 87 8.909 10.096 4.856 640 1HB ARG 87 HB2 ARG 87 8.761 13.033 5.605 641 2HB ARG 87 HB1 ARG 87 7.395 11.930 5.505 642 1HG ARG 87 HG2 ARG 87 9.199 10.597 7.142 643 2HG ARG 87 HG1 ARG 87 9.337 12.282 7.646 644 1HD ARG 87 HD2 ARG 87 6.675 10.881 7.313 645 2HD ARG 87 HD1 ARG 87 7.540 10.938 8.849 646 HE ARG 87 HE ARG 87 6.327 13.271 7.466 647 1HH1 ARG 87 HH21 ARG 87 8.538 12.171 9.842 648 2HH1 ARG 87 HH22 ARG 87 8.123 13.392 10.998 649 1HH2 ARG 87 HH11 ARG 87 5.576 14.734 9.066 650 2HH2 ARG 87 HH12 ARG 87 6.448 14.842 10.559 651 H GLN 88 HN GLN 88 10.533 12.842 3.463 652 HA GLN 88 HA GLN 88 8.640 13.615 1.495 653 1HB GLN 88 HB2 GLN 88 10.686 14.902 1.998 654 2HB GLN 88 HB1 GLN 88 11.660 13.633 1.252 655 1HG GLN 88 HG2 GLN 88 10.798 14.067 -0.901 656 2HG GLN 88 HG1 GLN 88 9.417 14.960 -0.264 657 1HE2 GLN 88 HE22 GLN 88 11.131 18.042 -0.181 658 2HE2 GLN 88 HE21 GLN 88 9.671 17.212 0.067 659 H VAL 89 HN VAL 89 11.475 11.455 0.915 660 HA VAL 89 HA VAL 89 10.602 10.702 -1.691 661 HB VAL 89 HB VAL 89 12.403 9.234 0.240 662 1HG1 VAL 89 HG11 VAL 89 11.589 7.964 -1.793 663 2HG1 VAL 89 HG13 VAL 89 12.354 9.203 -2.788 664 3HG1 VAL 89 HG12 VAL 89 13.337 8.191 -1.729 665 1HG2 VAL 89 HG23 VAL 89 12.747 11.591 -1.553 666 2HG2 VAL 89 HG22 VAL 89 13.384 11.310 0.068 667 3HG2 VAL 89 HG21 VAL 89 14.104 10.489 -1.317 668 H GLN 90 HN GLN 90 10.170 9.179 1.488 669 HA GLN 90 HA GLN 90 8.922 6.797 0.487 670 1HB GLN 90 HB2 GLN 90 9.543 7.884 3.034 671 2HB GLN 90 HB1 GLN 90 7.808 7.565 3.034 672 1HG GLN 90 HG2 GLN 90 8.478 5.451 3.587 673 2HG GLN 90 HG1 GLN 90 8.698 5.298 1.844 674 1HE2 GLN 90 HE22 GLN 90 12.136 6.220 3.903 675 2HE2 GLN 90 HE21 GLN 90 10.712 7.078 4.241 676 H ARG 91 HN ARG 91 7.789 10.041 1.053 677 HA ARG 91 HA ARG 91 4.959 9.342 0.871 678 1HB ARG 91 HB2 ARG 91 5.945 11.404 2.042 679 2HB ARG 91 HB1 ARG 91 6.143 12.087 0.428 680 1HG ARG 91 HG2 ARG 91 3.924 12.490 0.205 681 2HG ARG 91 HG1 ARG 91 3.486 10.922 0.883 682 1HD ARG 91 HD2 ARG 91 4.640 12.587 2.939 683 2HD ARG 91 HD1 ARG 91 3.309 13.438 2.155 684 HE ARG 91 HE ARG 91 2.478 10.762 2.704 685 1HH1 ARG 91 HH21 ARG 91 0.921 13.231 3.415 686 2HH1 ARG 91 HH22 ARG 91 0.947 13.186 5.147 687 1HH2 ARG 91 HH11 ARG 91 3.547 10.898 5.315 688 2HH2 ARG 91 HH12 ARG 91 2.433 11.865 6.222 689 H ALA 92 HN ALA 92 7.511 10.284 -1.359 690 HA ALA 92 HA ALA 92 5.720 10.904 -3.555 691 1HB ALA 92 HB2 ALA 92 8.384 11.337 -3.077 692 2HB ALA 92 HB1 ALA 92 8.447 10.004 -4.230 693 3HB ALA 92 HB3 ALA 92 7.616 11.500 -4.658 694 H PHE 93 HN PHE 93 7.868 8.088 -2.899 695 HA PHE 93 HA PHE 93 6.650 6.585 -5.087 696 1HB PHE 93 HB2 PHE 93 8.976 6.159 -4.507 697 2HB PHE 93 HB1 PHE 93 8.514 5.722 -2.863 698 HD1 PHE 93 HD1 PHE 93 6.505 4.856 -5.825 699 HD2 PHE 93 HD2 PHE 93 9.356 3.432 -2.946 700 HE1 PHE 93 HE1 PHE 93 6.091 2.528 -6.569 701 HE2 PHE 93 HE2 PHE 93 8.941 1.103 -3.690 702 HZ PHE 93 HZ PHE 93 7.310 0.651 -5.502 703 H ALA 94 HN ALA 94 6.096 6.900 -1.651 704 HA ALA 94 HA ALA 94 4.872 4.581 -0.881 705 1HB ALA 94 HB2 ALA 94 4.371 7.433 -0.281 706 2HB ALA 94 HB1 ALA 94 3.052 6.333 0.122 707 3HB ALA 94 HB3 ALA 94 4.655 6.082 0.816 708 HA PRO 95 HA PRO 95 0.735 5.686 -3.014 709 1HB PRO 95 HB2 PRO 95 0.786 7.721 -4.870 710 2HB PRO 95 HB1 PRO 95 0.377 7.947 -3.161 711 1HG PRO 95 HG2 PRO 95 2.906 8.629 -4.596 712 2HG PRO 95 HG1 PRO 95 2.177 9.399 -3.175 713 1HD PRO 95 HD2 PRO 95 4.335 7.616 -3.108 714 2HD PRO 95 HD1 PRO 95 3.318 8.031 -1.717 715 H LYS 96 HN LYS 96 0.120 6.017 -5.699 716 HA LYS 96 HA LYS 96 0.341 4.958 -7.782 717 1HB LYS 96 HB2 LYS 96 3.275 4.920 -7.002 718 2HB LYS 96 HB1 LYS 96 2.648 4.536 -8.605 719 1HG LYS 96 HG2 LYS 96 1.692 7.099 -7.496 720 2HG LYS 96 HG1 LYS 96 3.424 7.041 -7.824 721 1HD LYS 96 HD2 LYS 96 2.639 5.948 -10.101 722 2HD LYS 96 HD1 LYS 96 1.125 6.775 -9.731 723 1HE LYS 96 HE2 LYS 96 3.751 8.245 -9.575 724 2HE LYS 96 HE1 LYS 96 2.919 8.054 -11.118 725 1HZ LYS 96 HZ2 LYS 96 1.593 9.125 -8.696 726 2HZ LYS 96 HZ1 LYS 96 2.367 10.118 -9.837 727 3HZ LYS 96 HZ3 LYS 96 1.034 9.177 -10.300 728 H LEU 97 HN LEU 97 -0.124 3.518 -5.268 729 HA LEU 97 HA LEU 97 1.314 1.003 -5.353 730 1HB LEU 97 HB2 LEU 97 -0.484 2.277 -3.594 731 2HB LEU 97 HB1 LEU 97 -1.259 0.765 -4.072 732 HG LEU 97 HG LEU 97 0.237 0.522 -2.073 733 1HD1 LEU 97 HD13 LEU 97 -0.236 -1.286 -3.877 734 2HD1 LEU 97 HD12 LEU 97 1.415 -0.976 -4.412 735 3HD1 LEU 97 HD11 LEU 97 1.114 -1.555 -2.774 736 1HD2 LEU 97 HD21 LEU 97 1.900 2.236 -3.222 737 2HD2 LEU 97 HD23 LEU 97 2.524 0.957 -2.180 738 3HD2 LEU 97 HD22 LEU 97 2.580 0.771 -3.933 739 H VAL 98 HN VAL 98 -2.248 1.410 -5.813 740 HA VAL 98 HA VAL 98 -2.316 -1.027 -7.396 741 HB VAL 98 HB VAL 98 -4.655 -0.739 -7.463 742 1HG1 VAL 98 HG11 VAL 98 -3.682 -1.110 -5.199 743 2HG1 VAL 98 HG13 VAL 98 -3.713 0.633 -4.936 744 3HG1 VAL 98 HG12 VAL 98 -5.223 -0.253 -5.147 745 1HG2 VAL 98 HG23 VAL 98 -3.933 2.131 -7.398 746 2HG2 VAL 98 HG22 VAL 98 -5.279 1.331 -8.209 747 3HG2 VAL 98 HG21 VAL 98 -5.384 1.709 -6.489 748 H THR 99 HN THR 99 -0.808 1.443 -8.455 749 HA THR 99 HA THR 99 -2.374 1.841 -10.934 750 HB THR 99 HB THR 99 -1.053 3.749 -11.369 751 HG1 THR 99 HG1 THR 99 0.874 3.996 -9.868 752 1HG2 THR 99 HG23 THR 99 -2.502 3.777 -9.228 753 2HG2 THR 99 HG22 THR 99 -0.969 3.705 -8.359 754 3HG2 THR 99 HG21 THR 99 -1.312 5.062 -9.432 755 H GLU 100 HN GLU 100 -0.868 1.880 -13.023 756 HA GLU 100 HA GLU 100 0.152 -0.746 -13.364 757 1HB GLU 100 HB2 GLU 100 0.789 1.770 -14.929 758 2HB GLU 100 HB1 GLU 100 1.130 0.127 -15.471 759 1HG GLU 100 HG2 GLU 100 -1.353 -0.359 -15.152 760 2HG GLU 100 HG1 GLU 100 -1.575 1.380 -14.959 761 H VAL 101 HN VAL 101 1.664 1.594 -11.425 762 HA VAL 101 HA VAL 101 4.376 0.726 -12.251 763 HB VAL 101 HB VAL 101 3.451 2.868 -10.317 764 1HG1 VAL 101 HG13 VAL 101 6.044 1.578 -10.764 765 2HG1 VAL 101 HG12 VAL 101 6.106 3.329 -10.966 766 3HG1 VAL 101 HG11 VAL 101 5.528 2.635 -9.451 767 1HG2 VAL 101 HG23 VAL 101 3.553 2.859 -13.110 768 2HG2 VAL 101 HG22 VAL 101 3.495 4.287 -12.078 769 3HG2 VAL 101 HG21 VAL 101 5.049 3.660 -12.629 770 H GLU 102 HN GLU 102 2.078 -0.572 -10.344 771 HA GLU 102 HA GLU 102 4.135 -1.724 -8.549 772 1HB GLU 102 HB2 GLU 102 1.995 0.098 -7.714 773 2HB GLU 102 HB1 GLU 102 2.008 -1.418 -6.812 774 1HG GLU 102 HG2 GLU 102 4.516 0.201 -7.277 775 2HG GLU 102 HG1 GLU 102 3.471 0.465 -5.880 776 H CYS 103 HN CYS 103 0.687 -2.063 -7.954 777 HA CYS 103 HA CYS 103 0.677 -4.689 -9.370 778 1HB CYS 103 HB2 CYS 103 -0.231 -4.360 -6.497 779 2HB CYS 103 HB1 CYS 103 -0.114 -5.858 -7.418 780 H ASN 104 HN ASN 104 -0.677 -2.166 -10.017 781 HA ASN 104 HA ASN 104 -3.188 -1.633 -9.166 782 1HB ASN 104 HB2 ASN 104 -3.863 -1.189 -11.496 783 2HB ASN 104 HB1 ASN 104 -2.223 -0.620 -11.187 784 1HD2 ASN 104 HD22 ASN 104 -0.693 -3.074 -13.296 785 2HD2 ASN 104 HD21 ASN 104 -0.418 -2.033 -11.984 786 H LEU 105 HN LEU 105 -2.562 -4.435 -11.342 787 HA LEU 105 HA LEU 105 -4.025 -6.220 -11.863 788 1HB LEU 105 HB2 LEU 105 -4.525 -6.026 -8.879 789 2HB LEU 105 HB1 LEU 105 -4.710 -7.462 -9.887 790 HG LEU 105 HG LEU 105 -2.065 -6.034 -9.789 791 1HD1 LEU 105 HD12 LEU 105 -3.272 -7.857 -7.713 792 2HD1 LEU 105 HD11 LEU 105 -1.528 -7.826 -7.980 793 3HD1 LEU 105 HD13 LEU 105 -2.370 -6.360 -7.478 794 1HD2 LEU 105 HD21 LEU 105 -2.932 -8.916 -10.201 795 2HD2 LEU 105 HD23 LEU 105 -2.406 -7.799 -11.461 796 3HD2 LEU 105 HD22 LEU 105 -1.263 -8.348 -10.236 797 H ALA 106 HN ALA 106 -5.302 -3.517 -12.032 798 HA ALA 106 HA ALA 106 -7.458 -2.648 -12.314 799 1HB ALA 106 HB2 ALA 106 -7.884 -5.618 -12.398 800 2HB ALA 106 HB1 ALA 106 -9.287 -4.551 -12.350 801 3HB ALA 106 HB3 ALA 106 -8.127 -4.421 -13.671 802 H THR 107 HN THR 107 -8.451 -1.526 -10.705 803 HA THR 107 HA THR 107 -8.697 -2.771 -8.026 804 HB THR 107 HB THR 107 -8.915 -0.584 -7.188 805 HG1 THR 107 HG1 THR 107 -9.848 1.047 -8.347 806 1HG2 THR 107 HG21 THR 107 -6.893 -1.038 -8.961 807 2HG2 THR 107 HG23 THR 107 -7.619 0.417 -9.643 808 3HG2 THR 107 HG22 THR 107 -7.037 0.419 -7.979 809 H ILE 108 HN ILE 108 -11.005 -1.491 -7.089 810 HA ILE 108 HA ILE 108 -13.088 -3.180 -8.080 811 HB ILE 108 HB ILE 108 -12.941 -1.960 -5.821 812 1HG1 ILE 108 HG12 ILE 108 -14.948 -3.219 -6.689 813 2HG1 ILE 108 HG11 ILE 108 -15.349 -1.909 -5.579 814 1HG2 ILE 108 HG21 ILE 108 -12.519 0.283 -6.756 815 2HG2 ILE 108 HG23 ILE 108 -14.113 0.270 -7.511 816 3HG2 ILE 108 HG22 ILE 108 -13.969 0.276 -5.753 817 1HD1 ILE 108 HD13 ILE 108 -15.353 -0.620 -8.015 818 2HD1 ILE 108 HD12 ILE 108 -15.992 -2.209 -8.433 819 3HD1 ILE 108 HD11 ILE 108 -16.788 -1.237 -7.197 820 H HIS 109 HN HIS 109 -11.891 -0.079 -9.061 821 HA HIS 109 HA HIS 109 -14.181 0.705 -10.670 822 1HB HIS 109 HB2 HIS 109 -11.305 1.640 -10.620 823 2HB HIS 109 HB1 HIS 109 -12.585 2.409 -11.553 824 HD1 HIS 109 HD1 HIS 109 -14.336 3.798 -10.266 825 HD2 HIS 109 HD2 HIS 109 -11.508 1.988 -7.803 826 HE1 HIS 109 HE1 HIS 109 -14.610 4.844 -7.978 827 H GLY 110 HN GLY 110 -12.459 -1.952 -11.148 828 1HA GLY 110 HA2 GLY 110 -11.755 -3.170 -13.026 829 2HA GLY 110 HA1 GLY 110 -13.042 -2.296 -13.859 830 H GLY 111 HN GLY 111 -10.427 -0.513 -12.396 831 1HA GLY 111 HA2 GLY 111 -8.891 -0.366 -14.895 832 2HA GLY 111 HA1 GLY 111 -9.755 1.113 -14.477 833 HA PRO 112 HA PRO 112 -5.651 0.864 -12.190 834 1HB PRO 112 HB2 PRO 112 -4.284 2.677 -13.753 835 2HB PRO 112 HB1 PRO 112 -4.247 0.925 -14.018 836 1HG PRO 112 HG2 PRO 112 -5.657 3.040 -15.568 837 2HG PRO 112 HG1 PRO 112 -5.112 1.441 -16.097 838 1HD PRO 112 HD2 PRO 112 -7.772 2.160 -15.434 839 2HD PRO 112 HD1 PRO 112 -7.159 0.511 -15.671 840 H PHE 113 HN PHE 113 -7.380 2.087 -10.823 841 HA PHE 113 HA PHE 113 -6.363 4.541 -9.935 842 1HB PHE 113 HB2 PHE 113 -8.115 6.127 -10.820 843 2HB PHE 113 HB1 PHE 113 -6.970 5.563 -12.033 844 HD1 PHE 113 HD2 PHE 113 -10.429 5.195 -10.733 845 HD2 PHE 113 HD1 PHE 113 -7.660 4.128 -13.840 846 HE1 PHE 113 HE2 PHE 113 -12.302 4.323 -12.109 847 HE2 PHE 113 HE1 PHE 113 -9.531 3.259 -15.215 848 HZ PHE 113 HZ PHE 113 -11.856 3.356 -14.353 849 H CYS 114 HN CYS 114 -7.508 5.208 -8.026 850 HA CYS 114 HA CYS 114 -10.209 4.058 -7.646 851 1HB CYS 114 HB2 CYS 114 -9.690 3.047 -5.536 852 2HB CYS 114 HB1 CYS 114 -8.459 2.487 -6.668 853 H LEU 115 HN LEU 115 -11.470 5.261 -6.049 854 HA LEU 115 HA LEU 115 -12.133 7.288 -5.074 855 1HB LEU 115 HB2 LEU 115 -9.270 7.025 -4.124 856 2HB LEU 115 HB1 LEU 115 -10.369 8.275 -3.537 857 HG LEU 115 HG LEU 115 -11.750 5.778 -3.431 858 1HD1 LEU 115 HD13 LEU 115 -8.938 5.760 -2.316 859 2HD1 LEU 115 HD12 LEU 115 -10.205 4.703 -1.695 860 3HD1 LEU 115 HD11 LEU 115 -9.690 4.570 -3.377 861 1HD2 LEU 115 HD23 LEU 115 -11.676 8.039 -1.990 862 2HD2 LEU 115 HD22 LEU 115 -12.259 6.522 -1.304 863 3HD2 LEU 115 HD21 LEU 115 -10.609 7.058 -0.985 864 H SER 116 HN SER 116 -11.092 9.710 -4.733 865 HA SER 116 HA SER 116 -10.449 11.674 -5.823 866 1HB SER 116 HB2 SER 116 -8.706 9.643 -7.212 867 2HB SER 116 HB1 SER 116 -8.686 11.339 -7.684 868 HG SER 116 HG SER 116 -7.828 11.869 -5.791 869 H LEU 117 HN LEU 117 -9.860 10.233 -8.904 870 HA LEU 117 HA LEU 117 -11.009 10.461 -10.927 871 1HB LEU 117 HB2 LEU 117 -13.434 10.066 -9.140 872 2HB LEU 117 HB1 LEU 117 -13.390 9.852 -10.890 873 HG LEU 117 HG LEU 117 -11.978 8.207 -8.784 874 1HD1 LEU 117 HD12 LEU 117 -14.310 7.915 -10.527 875 2HD1 LEU 117 HD11 LEU 117 -13.169 6.581 -10.701 876 3HD1 LEU 117 HD13 LEU 117 -13.839 6.967 -9.116 877 1HD2 LEU 117 HD23 LEU 117 -11.313 8.675 -11.653 878 2HD2 LEU 117 HD22 LEU 117 -10.255 8.239 -10.311 879 3HD2 LEU 117 HD21 LEU 117 -11.253 7.008 -11.084 880 H LEU 118 HN LEU 118 -13.770 11.646 -11.122 881 HA LEU 118 HA LEU 118 -13.116 14.309 -11.631 882 1HB LEU 118 HB2 LEU 118 -15.720 12.951 -10.992 883 2HB LEU 118 HB1 LEU 118 -15.653 14.701 -11.167 884 HG LEU 118 HG LEU 118 -14.290 13.058 -13.249 885 1HD1 LEU 118 HD13 LEU 118 -16.787 12.258 -12.562 886 2HD1 LEU 118 HD12 LEU 118 -17.183 13.555 -13.689 887 3HD1 LEU 118 HD11 LEU 118 -16.180 12.204 -14.217 888 1HD2 LEU 118 HD22 LEU 118 -14.599 15.681 -12.997 889 2HD2 LEU 118 HD21 LEU 118 -14.686 14.920 -14.584 890 3HD2 LEU 118 HD23 LEU 118 -16.168 15.346 -13.729 891 H GLY 119 HN GLY 119 -13.461 12.922 -8.474 892 1HA GLY 119 HA2 GLY 119 -14.377 15.214 -7.046 893 2HA GLY 119 HA1 GLY 119 -13.416 13.905 -6.354 894 H ALA 120 HN ALA 120 -11.082 14.052 -6.510 895 HA ALA 120 HA ALA 120 -10.053 16.749 -7.262 896 1HB ALA 120 HB2 ALA 120 -10.446 16.117 -4.664 897 2HB ALA 120 HB1 ALA 120 -8.833 15.442 -4.890 898 3HB ALA 120 HB3 ALA 120 -9.125 17.153 -5.208 899 H GLY 121 HN GLY 121 -9.525 15.211 -9.153 900 1HA GLY 121 HA2 GLY 121 -7.255 13.397 -8.631 901 2HA GLY 121 HA1 GLY 121 -8.067 13.617 -10.182 902 H GLU 122 HN GLU 122 -7.223 16.497 -8.491 903 HA GLU 122 HA GLU 122 -5.607 18.142 -8.930 904 1HB GLU 122 HB2 GLU 122 -4.222 15.706 -8.859 905 2HB GLU 122 HB1 GLU 122 -3.677 16.490 -10.342 906 1HG GLU 122 HG2 GLU 122 -3.757 18.546 -8.439 907 2HG GLU 122 HG1 GLU 122 -3.066 17.166 -7.584 No H/Q in entry = 907 Start of MODEL 10 Raw file had 930 H/Q atoms Start of MODEL 10 1 1H SER 1 HT2 SER 1 -21.378 6.534 9.948 2 2H SER 1 HT1 SER 1 -22.108 8.051 10.172 3 3H SER 1 HT3 SER 1 -22.852 6.655 10.783 4 HA SER 1 HA SER 1 -23.502 5.904 8.705 5 1HB SER 1 HB2 SER 1 -24.622 7.855 7.675 6 2HB SER 1 HB1 SER 1 -24.783 7.879 9.426 7 HG SER 1 HG SER 1 -23.482 9.602 7.745 8 H VAL 2 HN VAL 2 -23.549 6.999 6.242 9 HA VAL 2 HA VAL 2 -22.345 7.561 4.295 10 HB VAL 2 HB VAL 2 -19.758 7.456 5.855 11 1HG1 VAL 2 HG12 VAL 2 -19.960 7.503 3.261 12 2HG1 VAL 2 HG11 VAL 2 -20.442 9.184 3.486 13 3HG1 VAL 2 HG13 VAL 2 -18.857 8.640 4.038 14 1HG2 VAL 2 HG23 VAL 2 -21.930 9.275 6.271 15 2HG2 VAL 2 HG22 VAL 2 -20.304 9.358 6.944 16 3HG2 VAL 2 HG21 VAL 2 -20.664 10.153 5.413 17 H GLY 3 HN GLY 3 -20.634 5.253 6.437 18 1HA GLY 3 HA2 GLY 3 -20.231 2.955 6.061 19 2HA GLY 3 HA1 GLY 3 -21.010 3.108 4.483 20 H THR 4 HN THR 4 -19.673 2.900 2.797 21 HA THR 4 HA THR 4 -17.673 2.577 1.609 22 HB THR 4 HB THR 4 -18.145 4.972 1.298 23 HG1 THR 4 HG1 THR 4 -16.138 5.447 0.581 24 1HG2 THR 4 HG22 THR 4 -16.479 5.254 3.806 25 2HG2 THR 4 HG21 THR 4 -16.793 6.595 2.706 26 3HG2 THR 4 HG23 THR 4 -18.131 5.809 3.542 27 H SER 5 HN SER 5 -17.572 1.556 4.355 28 HA SER 5 HA SER 5 -14.674 1.928 4.994 29 1HB SER 5 HB2 SER 5 -16.724 2.269 6.699 30 2HB SER 5 HB1 SER 5 -16.493 0.534 6.898 31 HG SER 5 HG SER 5 -15.076 1.392 8.295 32 H CYS 6 HN CYS 6 -13.783 -0.176 6.090 33 HA CYS 6 HA CYS 6 -14.641 -2.550 4.478 34 1HB CYS 6 HB2 CYS 6 -11.845 -1.675 5.264 35 2HB CYS 6 HB1 CYS 6 -12.223 -3.232 4.525 36 H ILE 7 HN ILE 7 -13.873 -4.648 5.542 37 HA ILE 7 HA ILE 7 -14.651 -4.587 8.378 38 HB ILE 7 HB ILE 7 -13.845 -7.037 6.795 39 1HG1 ILE 7 HG12 ILE 7 -16.654 -5.915 6.991 40 2HG1 ILE 7 HG11 ILE 7 -15.612 -5.633 5.595 41 1HG2 ILE 7 HG23 ILE 7 -15.472 -6.464 9.265 42 2HG2 ILE 7 HG22 ILE 7 -15.702 -7.959 8.359 43 3HG2 ILE 7 HG21 ILE 7 -14.129 -7.590 9.065 44 1HD1 ILE 7 HD11 ILE 7 -15.339 -8.144 5.412 45 2HD1 ILE 7 HD13 ILE 7 -16.597 -8.301 6.639 46 3HD1 ILE 7 HD12 ILE 7 -16.970 -7.556 5.085 47 HA PRO 8 HA PRO 8 -10.354 -4.770 9.605 48 1HB PRO 8 HB2 PRO 8 -10.721 -5.226 12.290 49 2HB PRO 8 HB1 PRO 8 -10.939 -3.642 11.527 50 1HG PRO 8 HG2 PRO 8 -13.000 -5.535 12.532 51 2HG PRO 8 HG1 PRO 8 -13.101 -3.781 12.306 52 1HD PRO 8 HD2 PRO 8 -14.171 -5.776 10.584 53 2HD PRO 8 HD1 PRO 8 -14.070 -4.035 10.252 54 H GLY 9 HN GLY 9 -8.770 -6.443 10.106 55 1HA GLY 9 HA2 GLY 9 -7.941 -8.616 10.265 56 2HA GLY 9 HA1 GLY 9 -9.289 -8.929 11.352 57 H MET 10 HN MET 10 -10.159 -7.862 8.173 58 HA MET 10 HA MET 10 -10.569 -10.647 7.213 59 1HB MET 10 HB2 MET 10 -12.668 -8.540 7.663 60 2HB MET 10 HB1 MET 10 -12.894 -9.780 6.428 61 1HG MET 10 HG2 MET 10 -12.625 -11.544 8.080 62 2HG MET 10 HG1 MET 10 -12.239 -10.362 9.330 63 1HE MET 10 HE2 MET 10 -14.802 -10.400 6.406 64 2HE MET 10 HE1 MET 10 -14.879 -12.017 7.101 65 3HE MET 10 HE3 MET 10 -16.275 -10.935 7.210 66 H ALA 11 HN ALA 11 -9.284 -10.482 5.223 67 HA ALA 11 HA ALA 11 -8.946 -9.851 2.979 68 1HB ALA 11 HB1 ALA 11 -11.324 -8.545 3.371 69 2HB ALA 11 HB3 ALA 11 -10.225 -7.187 3.135 70 3HB ALA 11 HB2 ALA 11 -10.366 -8.431 1.896 71 H ILE 12 HN ILE 12 -9.052 -6.999 5.135 72 HA ILE 12 HA ILE 12 -6.270 -6.347 4.326 73 HB ILE 12 HB ILE 12 -8.233 -4.581 5.810 74 1HG1 ILE 12 HG12 ILE 12 -7.571 -4.573 2.848 75 2HG1 ILE 12 HG11 ILE 12 -9.060 -5.227 3.529 76 1HG2 ILE 12 HG21 ILE 12 -5.567 -4.299 5.655 77 2HG2 ILE 12 HG23 ILE 12 -6.005 -3.553 4.119 78 3HG2 ILE 12 HG22 ILE 12 -6.659 -2.914 5.627 79 1HD1 ILE 12 HD11 ILE 12 -8.763 -2.640 4.645 80 2HD1 ILE 12 HD13 ILE 12 -8.409 -2.482 2.924 81 3HD1 ILE 12 HD12 ILE 12 -9.948 -3.162 3.449 82 HA PRO 13 HA PRO 13 -5.865 -8.003 8.568 83 1HB PRO 13 HB2 PRO 13 -3.287 -8.920 8.321 84 2HB PRO 13 HB1 PRO 13 -4.718 -9.836 7.831 85 1HG PRO 13 HG2 PRO 13 -2.683 -8.521 6.133 86 2HG PRO 13 HG1 PRO 13 -3.839 -9.792 5.708 87 1HD PRO 13 HD2 PRO 13 -4.014 -6.989 5.125 88 2HD PRO 13 HD1 PRO 13 -5.221 -8.243 4.737 89 H HIS 14 HN HIS 14 -4.135 -7.651 10.308 90 HA HIS 14 HA HIS 14 -3.637 -4.848 10.570 91 1HB HIS 14 HB2 HIS 14 -2.615 -7.192 12.219 92 2HB HIS 14 HB1 HIS 14 -2.680 -5.517 12.719 93 HD1 HIS 14 HD1 HIS 14 -4.898 -4.612 13.605 94 HD2 HIS 14 HD2 HIS 14 -5.248 -8.389 11.882 95 HE1 HIS 14 HE1 HIS 14 -7.258 -5.409 14.095 96 H ASN 15 HN ASN 15 -1.587 -3.744 10.440 97 HA ASN 15 HA ASN 15 0.566 -3.314 9.671 98 1HB ASN 15 HB2 ASN 15 0.980 -5.095 11.500 99 2HB ASN 15 HB1 ASN 15 1.175 -6.235 10.171 100 1HD2 ASN 15 HD22 ASN 15 4.528 -4.761 11.058 101 2HD2 ASN 15 HD21 ASN 15 3.339 -5.590 11.942 102 HA PRO 16 HA PRO 16 -0.406 -5.648 5.669 103 1HB PRO 16 HB2 PRO 16 -1.917 -3.771 4.375 104 2HB PRO 16 HB1 PRO 16 -2.617 -5.020 5.417 105 1HG PRO 16 HG2 PRO 16 -2.267 -2.109 5.949 106 2HG PRO 16 HG1 PRO 16 -3.462 -3.235 6.612 107 1HD PRO 16 HD2 PRO 16 -1.122 -2.313 7.934 108 2HD PRO 16 HD1 PRO 16 -2.181 -3.646 8.435 109 H LEU 17 HN LEU 17 0.187 -4.894 3.417 110 HA LEU 17 HA LEU 17 1.762 -3.947 1.966 111 1HB LEU 17 HB2 LEU 17 0.437 -1.684 3.411 112 2HB LEU 17 HB1 LEU 17 1.779 -1.317 2.331 113 HG LEU 17 HG LEU 17 -0.481 -1.213 1.222 114 1HD1 LEU 17 HD11 LEU 17 1.759 -1.807 0.093 115 2HD1 LEU 17 HD13 LEU 17 1.144 -3.459 0.047 116 3HD1 LEU 17 HD12 LEU 17 0.277 -2.170 -0.789 117 1HD2 LEU 17 HD22 LEU 17 -1.262 -3.317 2.576 118 2HD2 LEU 17 HD21 LEU 17 -1.817 -3.120 0.914 119 3HD2 LEU 17 HD23 LEU 17 -0.493 -4.226 1.278 120 H ASP 18 HN ASP 18 2.973 -5.015 4.358 121 HA ASP 18 HA ASP 18 4.955 -3.095 5.330 122 1HB ASP 18 HB2 ASP 18 5.972 -5.087 6.454 123 2HB ASP 18 HB1 ASP 18 4.257 -4.892 6.820 124 H SER 19 HN SER 19 4.933 -5.833 3.103 125 HA SER 19 HA SER 19 7.707 -5.805 2.409 126 1HB SER 19 HB2 SER 19 5.591 -7.411 1.779 127 2HB SER 19 HB1 SER 19 5.778 -6.521 0.272 128 HG SER 19 HG SER 19 7.268 -8.510 1.249 129 H CYS 20 HN CYS 20 4.956 -3.891 1.402 130 HA CYS 20 HA CYS 20 6.190 -2.712 -0.929 131 1HB CYS 20 HB2 CYS 20 3.760 -2.114 0.716 132 2HB CYS 20 HB1 CYS 20 4.313 -0.962 -0.498 133 H ARG 21 HN ARG 21 5.834 -1.774 2.475 134 HA ARG 21 HA ARG 21 6.922 0.840 2.239 135 1HB ARG 21 HB2 ARG 21 5.997 0.732 4.301 136 2HB ARG 21 HB1 ARG 21 6.219 -1.001 4.433 137 1HG ARG 21 HG2 ARG 21 7.490 0.190 6.183 138 2HG ARG 21 HG1 ARG 21 8.597 -0.626 5.078 139 1HD ARG 21 HD2 ARG 21 9.418 1.338 4.241 140 2HD ARG 21 HD1 ARG 21 7.852 2.145 4.332 141 HE ARG 21 HE ARG 21 8.927 1.676 6.973 142 1HH1 ARG 21 HH11 ARG 21 8.794 3.873 4.275 143 2HH1 ARG 21 HH12 ARG 21 9.580 5.149 5.134 144 1HH2 ARG 21 HH21 ARG 21 10.106 3.300 8.009 145 2HH2 ARG 21 HH22 ARG 21 10.312 4.832 7.228 146 H TRP 22 HN TRP 22 8.574 -2.246 3.120 147 HA TRP 22 HA TRP 22 11.174 -1.016 3.191 148 1HB TRP 22 HB2 TRP 22 10.359 -3.907 3.098 149 2HB TRP 22 HB1 TRP 22 12.038 -3.403 3.024 150 HD1 TRP 22 HD1 TRP 22 9.682 -4.402 5.492 151 HE1 TRP 22 HE1 TRP 22 10.261 -3.439 7.827 152 HE3 TRP 22 HE3 TRP 22 12.963 -0.948 4.067 153 HZ2 TRP 22 HZ2 TRP 22 11.985 -1.371 8.913 154 HZ3 TRP 22 HZ3 TRP 22 14.111 0.554 5.705 155 HH2 TRP 22 HH2 TRP 22 13.617 0.334 8.133 156 H TYR 23 HN TYR 23 9.214 -2.417 0.657 157 HA TYR 23 HA TYR 23 11.320 -2.773 -1.274 158 1HB TYR 23 HB2 TYR 23 9.035 -3.809 -1.448 159 2HB TYR 23 HB1 TYR 23 8.403 -2.219 -1.883 160 HD1 TYR 23 HD2 TYR 23 11.550 -4.071 -2.803 161 HD2 TYR 23 HD1 TYR 23 7.955 -2.158 -4.175 162 HE1 TYR 23 HE2 TYR 23 12.252 -4.438 -5.150 163 HE2 TYR 23 HE1 TYR 23 8.658 -2.526 -6.523 164 HH TYR 23 HH TYR 23 11.258 -2.890 -7.630 165 H VAL 24 HN VAL 24 9.408 0.010 -0.231 166 HA VAL 24 HA VAL 24 10.257 1.691 -2.478 167 HB VAL 24 HB VAL 24 9.202 2.534 0.242 168 1HG1 VAL 24 HG13 VAL 24 10.458 4.038 -1.859 169 2HG1 VAL 24 HG12 VAL 24 8.765 4.510 -1.775 170 3HG1 VAL 24 HG11 VAL 24 9.786 4.632 -0.344 171 1HG2 VAL 24 HG23 VAL 24 7.898 2.029 -2.431 172 2HG2 VAL 24 HG22 VAL 24 7.418 1.416 -0.850 173 3HG2 VAL 24 HG21 VAL 24 7.162 3.112 -1.250 174 H SER 25 HN SER 25 11.263 1.165 0.916 175 HA SER 25 HA SER 25 13.272 3.139 1.061 176 1HB SER 25 HB2 SER 25 14.282 1.828 2.823 177 2HB SER 25 HB1 SER 25 12.533 1.677 2.956 178 HG SER 25 HG SER 25 14.404 -0.219 2.507 179 H THR 26 HN THR 26 13.425 -0.121 -0.340 180 HA THR 26 HA THR 26 16.265 0.002 -0.959 181 HB THR 26 HB THR 26 14.077 -1.888 -1.881 182 HG1 THR 26 HG1 THR 26 16.150 -2.237 0.012 183 1HG2 THR 26 HG22 THR 26 17.091 -2.103 -2.161 184 2HG2 THR 26 HG21 THR 26 15.953 -3.410 -2.486 185 3HG2 THR 26 HG23 THR 26 15.929 -1.953 -3.478 186 H ARG 27 HN ARG 27 13.330 0.205 -2.987 187 HA ARG 27 HA ARG 27 14.677 0.582 -5.470 188 1HB ARG 27 HB2 ARG 27 11.905 1.470 -4.623 189 2HB ARG 27 HB1 ARG 27 12.487 1.431 -6.286 190 1HG ARG 27 HG2 ARG 27 12.494 -1.007 -4.497 191 2HG ARG 27 HG1 ARG 27 11.140 -0.600 -5.551 192 1HD ARG 27 HD2 ARG 27 13.971 -0.849 -6.580 193 2HD ARG 27 HD1 ARG 27 12.863 -2.216 -6.525 194 HE ARG 27 HE ARG 27 11.517 -0.117 -7.845 195 1HH1 ARG 27 HH21 ARG 27 14.721 -1.007 -8.398 196 2HH1 ARG 27 HH22 ARG 27 14.487 -1.462 -10.051 197 1HH2 ARG 27 HH11 ARG 27 11.037 -1.170 -9.932 198 2HH2 ARG 27 HH12 ARG 27 12.409 -1.552 -10.917 199 H THR 28 HN THR 28 13.950 2.799 -2.905 200 HA THR 28 HA THR 28 14.475 5.149 -4.603 201 HB THR 28 HB THR 28 13.676 6.437 -2.640 202 HG1 THR 28 HG1 THR 28 12.969 5.304 -0.839 203 1HG2 THR 28 HG22 THR 28 12.078 5.550 -4.293 204 2HG2 THR 28 HG21 THR 28 11.929 4.075 -3.338 205 3HG2 THR 28 HG23 THR 28 11.378 5.614 -2.675 206 H CYS 29 HN CYS 29 15.642 4.121 -1.331 207 HA CYS 29 HA CYS 29 18.125 5.667 -1.843 208 1HB CYS 29 HB2 CYS 29 17.456 4.349 0.772 209 2HB CYS 29 HB1 CYS 29 18.452 5.770 0.479 210 H GLY 30 HN GLY 30 17.272 2.661 -2.544 211 1HA GLY 30 HA2 GLY 30 18.431 0.608 -2.779 212 2HA GLY 30 HA1 GLY 30 19.903 1.572 -2.668 213 H VAL 31 HN VAL 31 17.564 1.679 -0.076 214 HA VAL 31 HA VAL 31 19.438 0.143 1.685 215 HB VAL 31 HB VAL 31 17.491 2.341 2.458 216 1HG1 VAL 31 HG12 VAL 31 19.493 0.661 3.948 217 2HG1 VAL 31 HG11 VAL 31 19.104 2.284 4.517 218 3HG1 VAL 31 HG13 VAL 31 17.835 1.066 4.391 219 1HG2 VAL 31 HG23 VAL 31 19.994 2.563 1.143 220 2HG2 VAL 31 HG22 VAL 31 19.067 3.856 1.902 221 3HG2 VAL 31 HG21 VAL 31 20.290 2.989 2.829 222 H GLY 32 HN GLY 32 18.310 -0.957 3.550 223 1HA GLY 32 HA2 GLY 32 15.918 -1.602 4.315 224 2HA GLY 32 HA1 GLY 32 15.744 -2.108 2.631 225 HA PRO 33 HA PRO 33 17.746 -5.571 5.244 226 1HB PRO 33 HB2 PRO 33 15.813 -7.515 4.835 227 2HB PRO 33 HB1 PRO 33 15.873 -6.450 6.250 228 1HG PRO 33 HG2 PRO 33 14.118 -6.280 3.828 229 2HG PRO 33 HG1 PRO 33 13.756 -5.859 5.512 230 1HD PRO 33 HD2 PRO 33 14.316 -4.000 3.576 231 2HD PRO 33 HD1 PRO 33 14.613 -3.740 5.311 232 H ARG 34 HN ARG 34 18.336 -7.851 4.230 233 HA ARG 34 HA ARG 34 18.927 -7.354 1.381 234 1HB ARG 34 HB2 ARG 34 19.929 -9.413 3.366 235 2HB ARG 34 HB1 ARG 34 20.403 -9.395 1.667 236 1HG ARG 34 HG2 ARG 34 21.381 -7.198 1.889 237 2HG ARG 34 HG1 ARG 34 20.737 -7.024 3.522 238 1HD ARG 34 HD2 ARG 34 22.211 -9.444 3.514 239 2HD ARG 34 HD1 ARG 34 23.209 -8.254 2.680 240 HE ARG 34 HE ARG 34 22.020 -7.499 5.296 241 1HH1 ARG 34 HH11 ARG 34 24.536 -9.448 4.583 242 2HH1 ARG 34 HH12 ARG 34 25.796 -8.400 5.145 243 1HH2 ARG 34 HH21 ARG 34 23.719 -5.644 5.481 244 2HH2 ARG 34 HH22 ARG 34 25.334 -6.247 5.653 245 H LEU 35 HN LEU 35 16.720 -7.684 0.707 246 HA LEU 35 HA LEU 35 16.010 -10.572 0.393 247 1HB LEU 35 HB2 LEU 35 14.475 -8.491 1.613 248 2HB LEU 35 HB1 LEU 35 13.703 -8.864 0.076 249 HG LEU 35 HG LEU 35 12.803 -10.272 1.891 250 1HD1 LEU 35 HD13 LEU 35 14.464 -11.662 -0.224 251 2HD1 LEU 35 HD12 LEU 35 13.318 -12.516 0.810 252 3HD1 LEU 35 HD11 LEU 35 12.748 -11.260 -0.289 253 1HD2 LEU 35 HD22 LEU 35 15.568 -10.442 2.632 254 2HD2 LEU 35 HD21 LEU 35 14.169 -11.082 3.489 255 3HD2 LEU 35 HD23 LEU 35 14.997 -12.075 2.290 256 H ALA 36 HN ALA 36 15.885 -11.173 -1.742 257 HA ALA 36 HA ALA 36 16.756 -9.584 -3.864 258 1HB ALA 36 HB2 ALA 36 16.229 -12.159 -3.710 259 2HB ALA 36 HB1 ALA 36 14.679 -11.680 -4.402 260 3HB ALA 36 HB3 ALA 36 16.175 -11.341 -5.271 261 H THR 37 HN THR 37 15.757 -7.969 -5.154 262 HA THR 37 HA THR 37 13.402 -6.658 -4.385 263 HB THR 37 HB THR 37 13.459 -6.031 -7.013 264 HG1 THR 37 HG1 THR 37 15.017 -7.358 -7.709 265 1HG2 THR 37 HG22 THR 37 14.219 -4.851 -4.669 266 2HG2 THR 37 HG21 THR 37 15.754 -4.914 -5.535 267 3HG2 THR 37 HG23 THR 37 14.369 -4.093 -6.255 268 H GLN 38 HN GLN 38 13.700 -8.966 -7.120 269 HA GLN 38 HA GLN 38 11.033 -8.964 -7.966 270 1HB GLN 38 HB2 GLN 38 12.897 -10.229 -9.056 271 2HB GLN 38 HB1 GLN 38 12.799 -11.423 -7.762 272 1HG GLN 38 HG2 GLN 38 10.283 -11.588 -8.402 273 2HG GLN 38 HG1 GLN 38 10.773 -10.804 -9.906 274 1HE2 GLN 38 HE22 GLN 38 12.404 -14.508 -9.117 275 2HE2 GLN 38 HE21 GLN 38 12.100 -13.451 -7.824 276 H GLU 39 HN GLU 39 12.395 -10.664 -5.184 277 HA GLU 39 HA GLU 39 10.021 -12.196 -4.570 278 1HB GLU 39 HB2 GLU 39 12.455 -11.413 -2.949 279 2HB GLU 39 HB1 GLU 39 11.146 -12.392 -2.283 280 1HG GLU 39 HG2 GLU 39 11.479 -13.896 -4.365 281 2HG GLU 39 HG1 GLU 39 13.022 -13.062 -4.549 282 H MET 40 HN MET 40 11.296 -9.056 -3.553 283 HA MET 40 HA MET 40 9.408 -8.454 -1.498 284 1HB MET 40 HB2 MET 40 11.593 -7.220 -2.283 285 2HB MET 40 HB1 MET 40 10.499 -6.354 -3.350 286 1HG MET 40 HG2 MET 40 10.591 -5.039 -1.371 287 2HG MET 40 HG1 MET 40 9.058 -5.908 -1.284 288 1HE MET 40 HE1 MET 40 12.705 -6.131 -0.760 289 2HE MET 40 HE3 MET 40 12.429 -5.211 0.726 290 3HE MET 40 HE2 MET 40 12.985 -6.881 0.810 291 H LYS 41 HN LYS 41 9.511 -7.351 -4.880 292 HA LYS 41 HA LYS 41 6.974 -6.116 -5.006 293 1HB LYS 41 HB2 LYS 41 8.760 -5.982 -6.769 294 2HB LYS 41 HB1 LYS 41 8.323 -7.617 -7.267 295 1HG LYS 41 HG2 LYS 41 5.980 -6.833 -7.642 296 2HG LYS 41 HG1 LYS 41 6.502 -5.192 -7.263 297 1HD LYS 41 HD2 LYS 41 8.343 -5.756 -9.120 298 2HD LYS 41 HD1 LYS 41 7.078 -6.856 -9.673 299 1HE LYS 41 HE2 LYS 41 5.473 -4.882 -9.536 300 2HE LYS 41 HE1 LYS 41 6.890 -3.857 -9.316 301 1HZ LYS 41 HZ3 LYS 41 6.773 -5.757 -11.562 302 2HZ LYS 41 HZ2 LYS 41 5.984 -4.257 -11.678 303 3HZ LYS 41 HZ1 LYS 41 7.662 -4.321 -11.423 304 H ALA 42 HN ALA 42 7.874 -9.514 -5.403 305 HA ALA 42 HA ALA 42 5.347 -10.482 -6.363 306 1HB ALA 42 HB2 ALA 42 7.638 -11.784 -4.881 307 2HB ALA 42 HB1 ALA 42 6.186 -12.685 -5.315 308 3HB ALA 42 HB3 ALA 42 7.189 -11.970 -6.577 309 H ARG 43 HN ARG 43 6.669 -9.917 -3.149 310 HA ARG 43 HA ARG 43 4.560 -11.121 -1.627 311 1HB ARG 43 HB2 ARG 43 6.841 -9.306 -1.098 312 2HB ARG 43 HB1 ARG 43 5.493 -9.166 0.031 313 1HG ARG 43 HG2 ARG 43 6.606 -10.895 1.059 314 2HG ARG 43 HG1 ARG 43 5.654 -11.845 -0.082 315 1HD ARG 43 HD2 ARG 43 7.476 -12.050 -1.595 316 2HD ARG 43 HD1 ARG 43 8.394 -10.786 -0.779 317 HE ARG 43 HE ARG 43 8.262 -13.584 0.021 318 1HH1 ARG 43 HH21 ARG 43 7.374 -12.307 2.497 319 2HH1 ARG 43 HH22 ARG 43 8.855 -11.839 3.265 320 1HH2 ARG 43 HH11 ARG 43 10.751 -12.128 0.375 321 2HH2 ARG 43 HH12 ARG 43 10.768 -11.738 2.062 322 H CYS 44 HN CYS 44 5.132 -7.759 -2.691 323 HA CYS 44 HA CYS 44 2.832 -6.605 -1.472 324 1HB CYS 44 HB2 CYS 44 4.514 -5.802 -3.814 325 2HB CYS 44 HB1 CYS 44 3.024 -4.937 -3.421 326 H CYS 45 HN CYS 45 3.259 -8.227 -4.626 327 HA CYS 45 HA CYS 45 0.610 -7.508 -5.598 328 1HB CYS 45 HB2 CYS 45 2.760 -9.392 -6.527 329 2HB CYS 45 HB1 CYS 45 1.157 -9.448 -7.251 330 H ARG 46 HN ARG 46 1.955 -10.134 -3.720 331 HA ARG 46 HA ARG 46 -0.326 -11.904 -4.024 332 1HB ARG 46 HB2 ARG 46 2.087 -12.413 -3.139 333 2HB ARG 46 HB1 ARG 46 1.452 -11.903 -1.590 334 1HG ARG 46 HG2 ARG 46 0.259 -13.792 -1.316 335 2HG ARG 46 HG1 ARG 46 -0.375 -13.725 -2.960 336 1HD ARG 46 HD2 ARG 46 0.929 -15.552 -3.307 337 2HD ARG 46 HD1 ARG 46 2.250 -14.389 -3.413 338 HE ARG 46 HE ARG 46 2.506 -14.808 -0.882 339 1HH1 ARG 46 HH21 ARG 46 0.147 -16.775 -0.949 340 2HH1 ARG 46 HH22 ARG 46 0.991 -18.288 -0.948 341 1HH2 ARG 46 HH11 ARG 46 4.044 -16.886 -1.810 342 2HH2 ARG 46 HH12 ARG 46 3.199 -18.351 -1.436 343 H GLN 47 HN GLN 47 0.624 -9.282 -1.852 344 HA GLN 47 HA GLN 47 -1.670 -9.641 -0.054 345 1HB GLN 47 HB2 GLN 47 0.065 -7.176 -0.351 346 2HB GLN 47 HB1 GLN 47 -0.885 -7.657 1.053 347 1HG GLN 47 HG2 GLN 47 0.814 -9.848 0.508 348 2HG GLN 47 HG1 GLN 47 1.822 -8.414 0.334 349 1HE2 GLN 47 HE22 GLN 47 2.143 -8.141 3.820 350 2HE2 GLN 47 HE21 GLN 47 2.856 -7.995 2.287 351 H LEU 48 HN LEU 48 -0.954 -7.848 -2.953 352 HA LEU 48 HA LEU 48 -3.108 -5.951 -2.816 353 1HB LEU 48 HB2 LEU 48 -0.881 -5.931 -4.191 354 2HB LEU 48 HB1 LEU 48 -1.769 -6.912 -5.348 355 HG LEU 48 HG LEU 48 -1.790 -4.469 -5.876 356 1HD1 LEU 48 HD11 LEU 48 -3.711 -6.250 -6.285 357 2HD1 LEU 48 HD13 LEU 48 -4.608 -5.171 -5.217 358 3HD1 LEU 48 HD12 LEU 48 -3.918 -4.553 -6.717 359 1HD2 LEU 48 HD23 LEU 48 -2.142 -4.065 -3.218 360 2HD2 LEU 48 HD22 LEU 48 -2.576 -2.875 -4.445 361 3HD2 LEU 48 HD21 LEU 48 -3.811 -3.939 -3.774 362 H GLU 49 HN GLU 49 -2.691 -9.173 -4.188 363 HA GLU 49 HA GLU 49 -5.289 -9.189 -5.526 364 1HB GLU 49 HB2 GLU 49 -3.390 -10.571 -6.354 365 2HB GLU 49 HB1 GLU 49 -3.419 -11.493 -4.851 366 1HG GLU 49 HG2 GLU 49 -6.005 -11.262 -6.302 367 2HG GLU 49 HG1 GLU 49 -4.768 -12.263 -7.063 368 H ALA 50 HN ALA 50 -3.900 -10.805 -2.642 369 HA ALA 50 HA ALA 50 -6.228 -12.091 -1.687 370 1HB ALA 50 HB3 ALA 50 -3.628 -11.355 -0.621 371 2HB ALA 50 HB2 ALA 50 -4.879 -11.156 0.606 372 3HB ALA 50 HB1 ALA 50 -4.660 -12.716 -0.185 373 H ILE 51 HN ILE 51 -5.192 -8.750 -1.470 374 HA ILE 51 HA ILE 51 -7.464 -7.948 0.226 375 HB ILE 51 HB ILE 51 -5.248 -6.344 -1.094 376 1HG1 ILE 51 HG12 ILE 51 -5.716 -6.972 1.832 377 2HG1 ILE 51 HG11 ILE 51 -4.676 -7.952 0.799 378 1HG2 ILE 51 HG23 ILE 51 -7.322 -5.008 -0.754 379 2HG2 ILE 51 HG22 ILE 51 -7.330 -5.483 0.944 380 3HG2 ILE 51 HG21 ILE 51 -6.021 -4.484 0.315 381 1HD1 ILE 51 HD11 ILE 51 -3.375 -5.870 0.250 382 2HD1 ILE 51 HD13 ILE 51 -4.342 -5.011 1.449 383 3HD1 ILE 51 HD12 ILE 51 -3.286 -6.332 1.950 384 HA PRO 52 HA PRO 52 -9.689 -7.813 -3.740 385 1HB PRO 52 HB2 PRO 52 -12.138 -7.140 -2.640 386 2HB PRO 52 HB1 PRO 52 -11.527 -8.798 -2.797 387 1HG PRO 52 HG2 PRO 52 -11.579 -7.027 -0.371 388 2HG PRO 52 HG1 PRO 52 -11.798 -8.785 -0.483 389 1HD PRO 52 HD2 PRO 52 -9.441 -7.623 0.345 390 2HD PRO 52 HD1 PRO 52 -9.513 -9.203 -0.466 391 H ALA 53 HN ALA 53 -10.396 -6.115 -5.061 392 HA ALA 53 HA ALA 53 -9.284 -3.561 -4.592 393 1HB ALA 53 HB1 ALA 53 -9.806 -4.512 -6.817 394 2HB ALA 53 HB3 ALA 53 -11.517 -4.229 -6.502 395 3HB ALA 53 HB2 ALA 53 -10.403 -2.865 -6.610 396 H TYR 54 HN TYR 54 -12.367 -4.808 -3.540 397 HA TYR 54 HA TYR 54 -13.982 -2.498 -3.365 398 1HB TYR 54 HB2 TYR 54 -13.838 -5.076 -2.018 399 2HB TYR 54 HB1 TYR 54 -14.286 -3.813 -0.874 400 HD1 TYR 54 HD2 TYR 54 -16.194 -2.210 -1.540 401 HD2 TYR 54 HD1 TYR 54 -15.420 -5.933 -3.538 402 HE1 TYR 54 HE2 TYR 54 -18.498 -2.196 -2.457 403 HE2 TYR 54 HE1 TYR 54 -17.724 -5.919 -4.456 404 HH TYR 54 HH TYR 54 -20.142 -3.805 -3.316 405 H CYS 55 HN CYS 55 -11.207 -3.468 -1.515 406 HA CYS 55 HA CYS 55 -11.171 -0.853 -0.082 407 1HB CYS 55 HB2 CYS 55 -9.957 -3.483 0.828 408 2HB CYS 55 HB1 CYS 55 -9.947 -1.964 1.724 409 H ARG 56 HN ARG 56 -8.770 -3.450 -0.783 410 HA ARG 56 HA ARG 56 -6.502 -3.261 -1.361 411 1HB ARG 56 HB2 ARG 56 -8.230 -2.235 -3.545 412 2HB ARG 56 HB1 ARG 56 -6.507 -1.899 -3.708 413 1HG ARG 56 HG2 ARG 56 -6.097 -4.362 -3.213 414 2HG ARG 56 HG1 ARG 56 -7.834 -4.601 -3.395 415 1HD ARG 56 HD2 ARG 56 -7.615 -3.464 -5.673 416 2HD ARG 56 HD1 ARG 56 -5.871 -3.628 -5.478 417 HE ARG 56 HE ARG 56 -6.767 -6.191 -5.043 418 1HH1 ARG 56 HH11 ARG 56 -5.658 -4.611 -7.625 419 2HH1 ARG 56 HH12 ARG 56 -6.616 -5.413 -8.818 420 1HH2 ARG 56 HH21 ARG 56 -8.748 -6.875 -6.514 421 2HH2 ARG 56 HH22 ARG 56 -8.373 -6.686 -8.194 422 H CYS 57 HN CYS 57 -7.107 -0.148 -2.939 423 HA CYS 57 HA CYS 57 -4.907 1.242 -2.103 424 1HB CYS 57 HB2 CYS 57 -7.695 2.409 -2.293 425 2HB CYS 57 HB1 CYS 57 -6.193 3.333 -2.365 426 H GLU 58 HN GLU 58 -7.876 1.099 0.013 427 HA GLU 58 HA GLU 58 -7.264 2.820 2.037 428 1HB GLU 58 HB2 GLU 58 -8.997 0.710 1.767 429 2HB GLU 58 HB1 GLU 58 -7.972 0.159 3.089 430 1HG GLU 58 HG2 GLU 58 -9.099 1.507 4.497 431 2HG GLU 58 HG1 GLU 58 -8.528 2.905 3.589 432 H ALA 59 HN ALA 59 -5.834 -0.497 1.862 433 HA ALA 59 HA ALA 59 -4.333 -0.640 4.153 434 1HB ALA 59 HB1 ALA 59 -3.417 -1.370 1.372 435 2HB ALA 59 HB3 ALA 59 -2.640 -1.919 2.856 436 3HB ALA 59 HB2 ALA 59 -4.295 -2.409 2.495 437 H VAL 60 HN VAL 60 -3.217 1.045 1.224 438 HA VAL 60 HA VAL 60 -0.718 1.950 2.221 439 HB VAL 60 HB VAL 60 -2.565 3.334 0.248 440 1HG1 VAL 60 HG13 VAL 60 -0.147 4.228 1.396 441 2HG1 VAL 60 HG12 VAL 60 0.287 3.646 -0.210 442 3HG1 VAL 60 HG11 VAL 60 -0.952 4.887 -0.027 443 1HG2 VAL 60 HG23 VAL 60 -1.455 0.809 0.046 444 2HG2 VAL 60 HG22 VAL 60 -1.906 1.826 -1.320 445 3HG2 VAL 60 HG21 VAL 60 -0.242 1.817 -0.743 446 H ARG 61 HN ARG 61 -3.930 3.500 2.299 447 HA ARG 61 HA ARG 61 -3.172 5.893 3.654 448 1HB ARG 61 HB2 ARG 61 -5.788 4.358 3.672 449 2HB ARG 61 HB1 ARG 61 -5.588 5.975 4.345 450 1HG ARG 61 HG2 ARG 61 -4.460 6.089 1.752 451 2HG ARG 61 HG1 ARG 61 -5.964 5.187 1.578 452 1HD ARG 61 HD2 ARG 61 -7.254 7.000 2.055 453 2HD ARG 61 HD1 ARG 61 -6.152 7.579 3.304 454 HE ARG 61 HE ARG 61 -5.520 7.942 0.405 455 1HH1 ARG 61 HH21 ARG 61 -4.476 8.751 3.438 456 2HH1 ARG 61 HH22 ARG 61 -4.494 10.467 3.206 457 1HH2 ARG 61 HH11 ARG 61 -6.163 10.304 0.170 458 2HH2 ARG 61 HH12 ARG 61 -5.450 11.347 1.354 459 H ILE 62 HN ILE 62 -3.692 2.639 4.804 460 HA ILE 62 HA ILE 62 -3.892 3.338 7.633 461 HB ILE 62 HB ILE 62 -3.570 0.751 6.081 462 1HG1 ILE 62 HG12 ILE 62 -5.761 1.635 7.966 463 2HG1 ILE 62 HG11 ILE 62 -5.781 1.994 6.241 464 1HG2 ILE 62 HG22 ILE 62 -3.133 1.222 8.985 465 2HG2 ILE 62 HG21 ILE 62 -4.150 -0.155 8.566 466 3HG2 ILE 62 HG23 ILE 62 -2.502 -0.055 7.945 467 1HD1 ILE 62 HD13 ILE 62 -5.250 -0.648 6.126 468 2HD1 ILE 62 HD12 ILE 62 -6.158 -0.604 7.638 469 3HD1 ILE 62 HD11 ILE 62 -6.894 -0.008 6.150 470 H LEU 63 HN LEU 63 -1.303 2.536 5.387 471 HA LEU 63 HA LEU 63 0.625 2.081 7.515 472 1HB LEU 63 HB2 LEU 63 0.850 1.071 5.223 473 2HB LEU 63 HB1 LEU 63 1.164 2.688 4.594 474 HG LEU 63 HG LEU 63 2.927 2.507 6.734 475 1HD1 LEU 63 HD11 LEU 63 2.405 -0.189 5.571 476 2HD1 LEU 63 HD13 LEU 63 4.088 0.249 5.864 477 3HD1 LEU 63 HD12 LEU 63 2.931 0.253 7.194 478 1HD2 LEU 63 HD21 LEU 63 3.351 3.431 4.458 479 2HD2 LEU 63 HD23 LEU 63 4.653 2.371 4.997 480 3HD2 LEU 63 HD22 LEU 63 3.464 1.785 3.833 481 H MET 64 HN MET 64 -0.165 4.784 5.378 482 HA MET 64 HA MET 64 1.931 6.476 6.490 483 1HB MET 64 HB2 MET 64 0.933 6.659 4.135 484 2HB MET 64 HB1 MET 64 -0.482 7.400 4.891 485 1HG MET 64 HG2 MET 64 0.981 9.191 4.219 486 2HG MET 64 HG1 MET 64 1.095 9.061 5.974 487 1HE MET 64 HE1 MET 64 2.420 8.965 2.703 488 2HE MET 64 HE3 MET 64 4.164 8.682 2.792 489 3HE MET 64 HE2 MET 64 3.050 7.320 2.711 490 H ASP 65 HN ASP 65 -1.659 6.495 6.679 491 HA ASP 65 HA ASP 65 -1.580 8.499 8.813 492 1HB ASP 65 HB2 ASP 65 -3.892 7.155 7.372 493 2HB ASP 65 HB1 ASP 65 -4.143 8.021 8.887 494 H GLY 66 HN GLY 66 -1.624 5.024 8.682 495 1HA GLY 66 HA2 GLY 66 -1.263 3.572 10.536 496 2HA GLY 66 HA1 GLY 66 -1.546 4.931 11.624 497 H VAL 67 HN VAL 67 -2.727 2.181 11.585 498 HA VAL 67 HA VAL 67 -5.625 2.917 11.368 499 HB VAL 67 HB VAL 67 -5.075 1.192 9.764 500 1HG1 VAL 67 HG13 VAL 67 -3.933 -0.304 12.138 501 2HG1 VAL 67 HG12 VAL 67 -4.125 -0.982 10.521 502 3HG1 VAL 67 HG11 VAL 67 -3.015 0.363 10.789 503 1HG2 VAL 67 HG21 VAL 67 -7.220 0.998 11.091 504 2HG2 VAL 67 HG23 VAL 67 -6.643 -0.520 10.404 505 3HG2 VAL 67 HG22 VAL 67 -6.397 -0.177 12.116 506 H VAL 68 HN VAL 68 -7.036 1.909 12.971 507 HA VAL 68 HA VAL 68 -5.621 1.391 15.543 508 HB VAL 68 HB VAL 68 -8.272 2.771 15.022 509 1HG1 VAL 68 HG11 VAL 68 -7.026 1.855 17.638 510 2HG1 VAL 68 HG13 VAL 68 -8.323 3.045 17.541 511 3HG1 VAL 68 HG12 VAL 68 -8.601 1.392 16.994 512 1HG2 VAL 68 HG21 VAL 68 -5.526 3.568 15.894 513 2HG2 VAL 68 HG23 VAL 68 -6.651 4.413 14.831 514 3HG2 VAL 68 HG22 VAL 68 -6.897 4.441 16.577 515 H THR 69 HN THR 69 -6.657 -0.050 16.989 516 HA THR 69 HA THR 69 -8.244 -2.197 15.675 517 HB THR 69 HB THR 69 -7.120 -3.717 17.346 518 HG1 THR 69 HG1 THR 69 -6.346 -1.446 18.384 519 1HG2 THR 69 HG21 THR 69 -6.332 -3.067 14.903 520 2HG2 THR 69 HG23 THR 69 -4.967 -2.365 15.770 521 3HG2 THR 69 HG22 THR 69 -5.325 -4.085 15.933 522 H SER 70 HN SER 70 -9.635 -3.376 17.135 523 HA SER 70 HA SER 70 -11.335 -1.699 18.679 524 1HB SER 70 HB2 SER 70 -12.096 -3.765 17.535 525 2HB SER 70 HB1 SER 70 -11.154 -4.718 18.678 526 HG SER 70 HG SER 70 -13.324 -4.535 19.344 527 H SER 71 HN SER 71 -8.729 -3.832 19.516 528 HA SER 71 HA SER 71 -9.117 -3.941 22.350 529 1HB SER 71 HB2 SER 71 -6.563 -4.361 22.327 530 2HB SER 71 HB1 SER 71 -7.586 -5.514 21.477 531 HG SER 71 HG SER 71 -5.896 -3.508 20.473 532 H GLY 72 HN GLY 72 -8.052 -1.389 20.279 533 1HA GLY 72 HA2 GLY 72 -7.924 0.909 21.092 534 2HA GLY 72 HA1 GLY 72 -7.411 0.275 22.657 535 H GLN 73 HN GLN 73 -5.834 -1.450 20.173 536 HA GLN 73 HA GLN 73 -3.319 0.055 20.718 537 1HB GLN 73 HB2 GLN 73 -3.805 -2.610 19.347 538 2HB GLN 73 HB1 GLN 73 -2.220 -1.917 19.689 539 1HG GLN 73 HG2 GLN 73 -2.977 -1.806 22.142 540 2HG GLN 73 HG1 GLN 73 -4.299 -2.871 21.661 541 1HE2 GLN 73 HE22 GLN 73 -2.196 -5.652 22.116 542 2HE2 GLN 73 HE21 GLN 73 -3.705 -4.928 22.395 543 H HIS 74 HN HIS 74 -1.908 0.670 18.903 544 HA HIS 74 HA HIS 74 -3.419 1.155 16.366 545 1HB HIS 74 HB2 HIS 74 -1.338 2.760 17.830 546 2HB HIS 74 HB1 HIS 74 -1.634 3.002 16.127 547 HD1 HIS 74 HD1 HIS 74 -2.771 5.266 16.229 548 HD2 HIS 74 HD2 HIS 74 -4.559 2.472 18.754 549 HE1 HIS 74 HE1 HIS 74 -4.896 6.337 17.096 550 H GLU 75 HN GLU 75 -2.139 0.977 14.414 551 HA GLU 75 HA GLU 75 0.501 -0.332 14.658 552 1HB GLU 75 HB2 GLU 75 -1.638 -1.461 12.849 553 2HB GLU 75 HB1 GLU 75 -0.044 -2.134 13.189 554 1HG GLU 75 HG2 GLU 75 -1.117 -1.929 15.714 555 2HG GLU 75 HG1 GLU 75 -2.532 -2.340 14.749 556 H GLY 76 HN GLY 76 1.178 -0.820 12.170 557 1HA GLY 76 HA2 GLY 76 2.007 0.211 10.236 558 2HA GLY 76 HA1 GLY 76 0.409 0.951 10.103 559 H ARG 77 HN ARG 77 1.152 2.988 9.491 560 HA ARG 77 HA ARG 77 1.964 5.170 9.788 561 1HB ARG 77 HB2 ARG 77 0.659 4.395 12.135 562 2HB ARG 77 HB1 ARG 77 2.180 5.088 12.696 563 1HG ARG 77 HG2 ARG 77 1.726 7.083 11.222 564 2HG ARG 77 HG1 ARG 77 0.131 6.406 10.892 565 1HD ARG 77 HD2 ARG 77 -0.256 7.879 12.694 566 2HD ARG 77 HD1 ARG 77 -0.130 6.300 13.468 567 HE ARG 77 HE ARG 77 2.390 7.807 13.300 568 1HH1 ARG 77 HH11 ARG 77 -0.330 8.588 14.959 569 2HH1 ARG 77 HH12 ARG 77 0.294 8.285 16.546 570 1HH2 ARG 77 HH21 ARG 77 3.168 6.713 15.409 571 2HH2 ARG 77 HH22 ARG 77 2.272 7.225 16.800 572 H LEU 78 HN LEU 78 3.896 2.717 9.905 573 HA LEU 78 HA LEU 78 6.117 3.720 11.525 574 1HB LEU 78 HB2 LEU 78 5.660 1.318 9.778 575 2HB LEU 78 HB1 LEU 78 7.304 1.763 10.235 576 HG LEU 78 HG LEU 78 5.286 1.737 12.419 577 1HD1 LEU 78 HD12 LEU 78 5.115 -0.377 10.772 578 2HD1 LEU 78 HD11 LEU 78 6.505 -0.894 11.728 579 3HD1 LEU 78 HD13 LEU 78 4.970 -0.539 12.522 580 1HD2 LEU 78 HD23 LEU 78 7.911 2.148 12.402 581 2HD2 LEU 78 HD22 LEU 78 7.147 1.279 13.732 582 3HD2 LEU 78 HD21 LEU 78 7.962 0.386 12.449 583 H LEU 79 HN LEU 79 4.939 4.264 8.320 584 HA LEU 79 HA LEU 79 7.379 4.680 6.909 585 1HB LEU 79 HB2 LEU 79 4.963 4.596 6.001 586 2HB LEU 79 HB1 LEU 79 4.859 6.292 6.474 587 HG LEU 79 HG LEU 79 7.274 5.516 4.933 588 1HD1 LEU 79 HD13 LEU 79 4.472 5.403 3.829 589 2HD1 LEU 79 HD12 LEU 79 5.830 5.855 2.798 590 3HD1 LEU 79 HD11 LEU 79 5.804 4.275 3.579 591 1HD2 LEU 79 HD21 LEU 79 6.041 7.876 5.738 592 2HD2 LEU 79 HD23 LEU 79 7.304 7.747 4.517 593 3HD2 LEU 79 HD22 LEU 79 5.608 7.764 4.034 594 H GLN 80 HN GLN 80 8.840 5.783 8.228 595 HA GLN 80 HA GLN 80 8.274 8.689 8.625 596 1HB GLN 80 HB2 GLN 80 9.720 6.941 10.640 597 2HB GLN 80 HB1 GLN 80 9.277 8.637 10.829 598 1HG GLN 80 HG2 GLN 80 6.912 8.077 10.803 599 2HG GLN 80 HG1 GLN 80 7.279 6.388 10.447 600 1HE2 GLN 80 HE22 GLN 80 8.796 6.018 13.835 601 2HE2 GLN 80 HE21 GLN 80 9.339 5.817 12.239 602 H ASP 81 HN ASP 81 10.407 9.824 9.178 603 HA ASP 81 HA ASP 81 12.173 9.695 7.027 604 1HB ASP 81 HB2 ASP 81 12.900 10.615 9.827 605 2HB ASP 81 HB1 ASP 81 13.669 11.094 8.310 606 H LEU 82 HN LEU 82 13.086 7.832 6.477 607 HA LEU 82 HA LEU 82 14.508 6.088 8.387 608 1HB LEU 82 HB2 LEU 82 13.769 5.964 5.467 609 2HB LEU 82 HB1 LEU 82 15.003 4.885 6.086 610 HG LEU 82 HG LEU 82 12.271 5.139 7.356 611 1HD1 LEU 82 HD13 LEU 82 13.216 3.508 5.020 612 2HD1 LEU 82 HD12 LEU 82 12.052 2.796 6.137 613 3HD1 LEU 82 HD11 LEU 82 11.652 4.283 5.279 614 1HD2 LEU 82 HD23 LEU 82 14.528 4.047 8.367 615 2HD2 LEU 82 HD22 LEU 82 12.925 3.394 8.706 616 3HD2 LEU 82 HD21 LEU 82 13.928 2.665 7.452 617 HA PRO 83 HA PRO 83 18.461 7.840 7.539 618 1HB PRO 83 HB2 PRO 83 20.111 5.706 6.950 619 2HB PRO 83 HB1 PRO 83 19.593 6.147 8.587 620 1HG PRO 83 HG2 PRO 83 18.610 3.932 6.831 621 2HG PRO 83 HG1 PRO 83 18.707 4.005 8.599 622 1HD PRO 83 HD2 PRO 83 16.366 4.343 7.142 623 2HD PRO 83 HD1 PRO 83 16.605 4.934 8.795 624 H GLY 84 HN GLY 84 18.191 9.063 5.730 625 1HA GLY 84 HA2 GLY 84 18.982 9.709 3.575 626 2HA GLY 84 HA1 GLY 84 19.276 8.016 3.190 627 H CYS 85 HN CYS 85 16.144 8.520 4.562 628 HA CYS 85 HA CYS 85 14.883 8.928 1.901 629 1HB CYS 85 HB2 CYS 85 13.833 6.745 3.685 630 2HB CYS 85 HB1 CYS 85 13.565 6.984 1.965 631 HA PRO 86 HA PRO 86 12.782 11.326 5.231 632 1HB PRO 86 HB2 PRO 86 12.089 13.455 3.611 633 2HB PRO 86 HB1 PRO 86 13.610 13.340 4.486 634 1HG PRO 86 HG2 PRO 86 13.084 12.955 1.587 635 2HG PRO 86 HG1 PRO 86 14.578 13.462 2.393 636 1HD PRO 86 HD2 PRO 86 14.061 10.897 1.367 637 2HD PRO 86 HD1 PRO 86 15.363 11.306 2.505 638 H ARG 87 HN ARG 87 10.472 11.992 5.448 639 HA ARG 87 HA ARG 87 8.522 10.286 4.440 640 1HB ARG 87 HB2 ARG 87 8.219 13.234 5.082 641 2HB ARG 87 HB1 ARG 87 6.906 12.070 4.989 642 1HG ARG 87 HG2 ARG 87 9.134 11.298 6.762 643 2HG ARG 87 HG1 ARG 87 8.221 12.713 7.282 644 1HD ARG 87 HD2 ARG 87 6.246 10.920 6.481 645 2HD ARG 87 HD1 ARG 87 7.421 9.899 7.293 646 HE ARG 87 HE ARG 87 6.696 10.860 9.310 647 1HH1 ARG 87 HH21 ARG 87 7.508 13.450 9.533 648 2HH1 ARG 87 HH22 ARG 87 6.136 14.460 9.219 649 1HH2 ARG 87 HH11 ARG 87 4.317 11.955 7.654 650 2HH2 ARG 87 HH12 ARG 87 4.329 13.613 8.154 651 H GLN 88 HN GLN 88 9.975 13.118 2.995 652 HA GLN 88 HA GLN 88 8.119 13.818 0.992 653 1HB GLN 88 HB2 GLN 88 11.133 13.850 0.701 654 2HB GLN 88 HB1 GLN 88 9.980 14.844 -0.188 655 1HG GLN 88 HG2 GLN 88 9.214 15.767 2.050 656 2HG GLN 88 HG1 GLN 88 10.600 14.952 2.774 657 1HE2 GLN 88 HE22 GLN 88 11.306 18.535 1.424 658 2HE2 GLN 88 HE21 GLN 88 9.870 17.954 2.116 659 H VAL 89 HN VAL 89 10.883 11.526 0.586 660 HA VAL 89 HA VAL 89 10.269 10.789 -2.090 661 HB VAL 89 HB VAL 89 11.680 9.232 0.089 662 1HG1 VAL 89 HG13 VAL 89 10.923 8.273 -2.347 663 2HG1 VAL 89 HG12 VAL 89 12.479 8.996 -2.753 664 3HG1 VAL 89 HG11 VAL 89 12.382 7.753 -1.508 665 1HG2 VAL 89 HG23 VAL 89 12.541 11.368 -1.830 666 2HG2 VAL 89 HG22 VAL 89 12.748 11.310 -0.079 667 3HG2 VAL 89 HG21 VAL 89 13.696 10.242 -1.116 668 H GLN 90 HN GLN 90 9.311 9.454 1.027 669 HA GLN 90 HA GLN 90 7.928 7.147 0.031 670 1HB GLN 90 HB2 GLN 90 7.995 8.674 2.591 671 2HB GLN 90 HB1 GLN 90 6.600 7.630 2.317 672 1HG GLN 90 HG2 GLN 90 8.295 6.322 3.443 673 2HG GLN 90 HG1 GLN 90 8.198 5.760 1.775 674 1HE2 GLN 90 HE22 GLN 90 11.580 7.649 3.085 675 2HE2 GLN 90 HE21 GLN 90 10.186 7.631 4.052 676 H ARG 91 HN ARG 91 7.094 10.529 0.250 677 HA ARG 91 HA ARG 91 4.226 10.133 -0.129 678 1HB ARG 91 HB2 ARG 91 5.831 12.260 0.705 679 2HB ARG 91 HB1 ARG 91 5.249 12.773 -0.879 680 1HG ARG 91 HG2 ARG 91 3.521 13.502 0.513 681 2HG ARG 91 HG1 ARG 91 2.927 11.917 0.018 682 1HD ARG 91 HD2 ARG 91 4.332 11.138 2.152 683 2HD ARG 91 HD1 ARG 91 4.007 12.795 2.659 684 HE ARG 91 HE ARG 91 1.887 10.780 2.041 685 1HH1 ARG 91 HH11 ARG 91 1.235 13.771 1.887 686 2HH1 ARG 91 HH12 ARG 91 0.578 14.043 3.466 687 1HH2 ARG 91 HH21 ARG 91 1.820 11.083 4.780 688 2HH2 ARG 91 HH22 ARG 91 0.910 12.520 5.104 689 H ALA 92 HN ALA 92 7.039 10.764 -2.187 690 HA ALA 92 HA ALA 92 5.576 11.367 -4.595 691 1HB ALA 92 HB3 ALA 92 8.339 11.024 -3.800 692 2HB ALA 92 HB2 ALA 92 8.041 10.192 -5.324 693 3HB ALA 92 HB1 ALA 92 7.685 11.912 -5.175 694 H PHE 93 HN PHE 93 7.104 8.367 -3.401 695 HA PHE 93 HA PHE 93 6.056 6.736 -5.586 696 1HB PHE 93 HB2 PHE 93 8.173 6.132 -4.534 697 2HB PHE 93 HB1 PHE 93 7.390 6.017 -2.962 698 HD1 PHE 93 HD2 PHE 93 5.707 4.203 -2.523 699 HD2 PHE 93 HD1 PHE 93 8.045 4.339 -6.123 700 HE1 PHE 93 HE2 PHE 93 5.146 1.833 -2.975 701 HE2 PHE 93 HE1 PHE 93 7.483 1.969 -6.576 702 HZ PHE 93 HZ PHE 93 6.039 0.712 -5.003 703 H ALA 94 HN ALA 94 4.998 7.611 -2.381 704 HA ALA 94 HA ALA 94 3.400 5.613 -1.477 705 1HB ALA 94 HB1 ALA 94 3.240 8.557 -1.341 706 2HB ALA 94 HB3 ALA 94 1.732 7.717 -0.975 707 3HB ALA 94 HB2 ALA 94 3.189 7.361 -0.046 708 HA PRO 95 HA PRO 95 -0.321 6.648 -4.304 709 1HB PRO 95 HB2 PRO 95 0.060 8.374 -6.409 710 2HB PRO 95 HB1 PRO 95 -0.495 8.872 -4.802 711 1HG PRO 95 HG2 PRO 95 2.180 9.237 -6.059 712 2HG PRO 95 HG1 PRO 95 1.395 10.195 -4.793 713 1HD PRO 95 HD2 PRO 95 3.418 8.265 -4.397 714 2HD PRO 95 HD1 PRO 95 2.418 8.993 -3.132 715 H LYS 96 HN LYS 96 2.064 4.881 -4.866 716 HA LYS 96 HA LYS 96 1.452 4.212 -7.701 717 1HB LYS 96 HB2 LYS 96 4.087 4.111 -6.211 718 2HB LYS 96 HB1 LYS 96 3.815 3.210 -7.703 719 1HG LYS 96 HG2 LYS 96 3.152 5.358 -8.813 720 2HG LYS 96 HG1 LYS 96 3.611 6.212 -7.341 721 1HD LYS 96 HD2 LYS 96 5.907 5.387 -7.540 722 2HD LYS 96 HD1 LYS 96 5.466 4.451 -8.970 723 1HE LYS 96 HE2 LYS 96 4.935 7.407 -8.917 724 2HE LYS 96 HE1 LYS 96 6.562 6.823 -9.264 725 1HZ LYS 96 HZ2 LYS 96 4.156 5.835 -10.687 726 2HZ LYS 96 HZ1 LYS 96 5.080 7.149 -11.241 727 3HZ LYS 96 HZ3 LYS 96 5.785 5.613 -11.115 728 H LEU 97 HN LEU 97 0.191 3.348 -5.200 729 HA LEU 97 HA LEU 97 1.089 0.669 -4.537 730 1HB LEU 97 HB2 LEU 97 -1.322 0.527 -3.504 731 2HB LEU 97 HB1 LEU 97 -0.105 1.550 -2.756 732 HG LEU 97 HG LEU 97 -1.617 2.970 -4.835 733 1HD1 LEU 97 HD13 LEU 97 -3.086 1.332 -2.892 734 2HD1 LEU 97 HD12 LEU 97 -3.539 3.035 -2.868 735 3HD1 LEU 97 HD11 LEU 97 -3.654 2.114 -4.366 736 1HD2 LEU 97 HD23 LEU 97 -0.440 3.415 -2.197 737 2HD2 LEU 97 HD22 LEU 97 -0.741 4.566 -3.496 738 3HD2 LEU 97 HD21 LEU 97 -2.021 4.180 -2.348 739 H VAL 98 HN VAL 98 -2.149 1.502 -5.930 740 HA VAL 98 HA VAL 98 -2.117 -1.114 -7.300 741 HB VAL 98 HB VAL 98 -4.468 -0.782 -7.616 742 1HG1 VAL 98 HG13 VAL 98 -3.585 0.177 -4.892 743 2HG1 VAL 98 HG12 VAL 98 -5.178 -0.480 -5.266 744 3HG1 VAL 98 HG11 VAL 98 -3.748 -1.503 -5.398 745 1HG2 VAL 98 HG21 VAL 98 -3.956 2.039 -6.609 746 2HG2 VAL 98 HG23 VAL 98 -4.540 1.582 -8.210 747 3HG2 VAL 98 HG22 VAL 98 -5.566 1.342 -6.796 748 H THR 99 HN THR 99 -0.470 1.214 -8.217 749 HA THR 99 HA THR 99 -1.760 1.858 -10.793 750 HB THR 99 HB THR 99 -0.080 3.547 -11.113 751 HG1 THR 99 HG1 THR 99 1.194 2.369 -8.866 752 1HG2 THR 99 HG22 THR 99 -0.948 3.398 -8.226 753 2HG2 THR 99 HG21 THR 99 -0.254 4.832 -8.983 754 3HG2 THR 99 HG23 THR 99 -1.797 4.196 -9.551 755 H GLU 100 HN GLU 100 -0.181 1.755 -12.805 756 HA GLU 100 HA GLU 100 0.626 -0.954 -13.137 757 1HB GLU 100 HB2 GLU 100 0.253 1.207 -14.786 758 2HB GLU 100 HB1 GLU 100 2.002 1.012 -14.855 759 1HG GLU 100 HG2 GLU 100 0.616 -1.560 -15.026 760 2HG GLU 100 HG1 GLU 100 0.117 -0.458 -16.308 761 H VAL 101 HN VAL 101 2.312 1.327 -11.186 762 HA VAL 101 HA VAL 101 4.970 0.253 -11.939 763 HB VAL 101 HB VAL 101 4.276 2.369 -9.887 764 1HG1 VAL 101 HG12 VAL 101 6.811 1.335 -11.136 765 2HG1 VAL 101 HG11 VAL 101 6.728 2.992 -10.539 766 3HG1 VAL 101 HG13 VAL 101 6.459 1.643 -9.436 767 1HG2 VAL 101 HG23 VAL 101 4.020 2.512 -12.712 768 2HG2 VAL 101 HG22 VAL 101 3.968 3.847 -11.565 769 3HG2 VAL 101 HG21 VAL 101 5.498 3.385 -12.307 770 H GLU 102 HN GLU 102 2.524 -0.844 -10.003 771 HA GLU 102 HA GLU 102 4.470 -2.151 -8.183 772 1HB GLU 102 HB2 GLU 102 3.637 -0.215 -6.950 773 2HB GLU 102 HB1 GLU 102 1.981 -0.712 -7.246 774 1HG GLU 102 HG2 GLU 102 2.445 -1.495 -5.055 775 2HG GLU 102 HG1 GLU 102 2.631 -2.925 -6.069 776 H CYS 103 HN CYS 103 0.936 -2.315 -7.710 777 HA CYS 103 HA CYS 103 0.874 -4.982 -9.066 778 1HB CYS 103 HB2 CYS 103 0.219 -4.441 -6.151 779 2HB CYS 103 HB1 CYS 103 -0.194 -5.935 -6.991 780 H ASN 104 HN ASN 104 -0.383 -2.517 -9.923 781 HA ASN 104 HA ASN 104 -2.880 -1.804 -9.141 782 1HB ASN 104 HB2 ASN 104 -3.445 -1.310 -11.485 783 2HB ASN 104 HB1 ASN 104 -1.809 -0.823 -11.090 784 1HD2 ASN 104 HD22 ASN 104 -0.308 -3.319 -13.210 785 2HD2 ASN 104 HD21 ASN 104 -0.024 -2.383 -11.826 786 H LEU 105 HN LEU 105 -2.493 -4.588 -11.419 787 HA LEU 105 HA LEU 105 -4.078 -6.246 -11.985 788 1HB LEU 105 HB2 LEU 105 -4.246 -5.998 -8.982 789 2HB LEU 105 HB1 LEU 105 -5.162 -7.225 -9.856 790 HG LEU 105 HG LEU 105 -2.326 -7.059 -10.657 791 1HD1 LEU 105 HD12 LEU 105 -2.623 -6.679 -8.003 792 2HD1 LEU 105 HD11 LEU 105 -2.721 -8.439 -8.052 793 3HD1 LEU 105 HD13 LEU 105 -1.295 -7.617 -8.687 794 1HD2 LEU 105 HD22 LEU 105 -4.467 -9.060 -10.219 795 2HD2 LEU 105 HD21 LEU 105 -3.223 -8.998 -11.466 796 3HD2 LEU 105 HD23 LEU 105 -2.836 -9.627 -9.865 797 H ALA 106 HN ALA 106 -5.144 -3.330 -11.906 798 HA ALA 106 HA ALA 106 -7.176 -2.259 -12.288 799 1HB ALA 106 HB1 ALA 106 -7.684 -5.090 -12.897 800 2HB ALA 106 HB3 ALA 106 -9.133 -4.215 -12.404 801 3HB ALA 106 HB2 ALA 106 -8.182 -3.646 -13.775 802 H THR 107 HN THR 107 -8.238 -1.168 -10.724 803 HA THR 107 HA THR 107 -8.723 -2.436 -8.086 804 HB THR 107 HB THR 107 -8.893 -0.236 -7.213 805 HG1 THR 107 HG1 THR 107 -10.137 1.107 -8.215 806 1HG2 THR 107 HG21 THR 107 -6.662 -0.670 -8.322 807 2HG2 THR 107 HG23 THR 107 -7.244 0.289 -9.683 808 3HG2 THR 107 HG22 THR 107 -7.076 1.030 -8.090 809 H ILE 108 HN ILE 108 -11.039 -0.837 -7.372 810 HA ILE 108 HA ILE 108 -13.173 -2.465 -8.437 811 HB ILE 108 HB ILE 108 -13.251 -1.395 -6.180 812 1HG1 ILE 108 HG12 ILE 108 -15.621 -0.326 -6.583 813 2HG1 ILE 108 HG11 ILE 108 -15.390 -0.910 -8.233 814 1HG2 ILE 108 HG23 ILE 108 -12.278 0.831 -7.245 815 2HG2 ILE 108 HG22 ILE 108 -13.984 1.215 -7.471 816 3HG2 ILE 108 HG21 ILE 108 -13.357 0.908 -5.852 817 1HD1 ILE 108 HD12 ILE 108 -14.652 -3.128 -6.911 818 2HD1 ILE 108 HD11 ILE 108 -15.752 -2.453 -5.710 819 3HD1 ILE 108 HD13 ILE 108 -16.334 -2.807 -7.337 820 H HIS 109 HN HIS 109 -11.789 0.636 -9.224 821 HA HIS 109 HA HIS 109 -13.809 1.645 -10.993 822 1HB HIS 109 HB2 HIS 109 -10.852 2.202 -10.685 823 2HB HIS 109 HB1 HIS 109 -11.914 3.126 -11.745 824 HD1 HIS 109 HD1 HIS 109 -13.884 4.460 -10.559 825 HD2 HIS 109 HD2 HIS 109 -11.034 2.858 -7.976 826 HE1 HIS 109 HE1 HIS 109 -14.204 5.607 -8.329 827 H GLY 110 HN GLY 110 -11.890 -1.098 -11.463 828 1HA GLY 110 HA2 GLY 110 -11.309 -2.339 -13.351 829 2HA GLY 110 HA1 GLY 110 -12.562 -1.427 -14.195 830 H GLY 111 HN GLY 111 -9.864 0.178 -12.632 831 1HA GLY 111 HA2 GLY 111 -8.302 0.441 -15.105 832 2HA GLY 111 HA1 GLY 111 -9.104 1.922 -14.583 833 HA PRO 112 HA PRO 112 -5.051 1.255 -12.221 834 1HB PRO 112 HB2 PRO 112 -3.443 2.978 -13.666 835 2HB PRO 112 HB1 PRO 112 -3.551 1.238 -13.975 836 1HG PRO 112 HG2 PRO 112 -4.666 3.510 -15.535 837 2HG PRO 112 HG1 PRO 112 -4.277 1.869 -16.074 838 1HD PRO 112 HD2 PRO 112 -6.867 2.881 -15.495 839 2HD PRO 112 HD1 PRO 112 -6.436 1.183 -15.784 840 H PHE 113 HN PHE 113 -6.712 2.568 -10.863 841 HA PHE 113 HA PHE 113 -5.500 4.875 -9.802 842 1HB PHE 113 HB2 PHE 113 -7.096 6.665 -10.529 843 2HB PHE 113 HB1 PHE 113 -6.057 6.085 -11.823 844 HD1 PHE 113 HD2 PHE 113 -9.482 5.796 -10.365 845 HD2 PHE 113 HD1 PHE 113 -6.965 5.077 -13.772 846 HE1 PHE 113 HE2 PHE 113 -11.481 5.269 -11.737 847 HE2 PHE 113 HE1 PHE 113 -8.963 4.556 -15.143 848 HZ PHE 113 HZ PHE 113 -11.224 4.659 -14.134 849 H CYS 114 HN CYS 114 -6.736 5.797 -7.998 850 HA CYS 114 HA CYS 114 -9.446 4.934 -7.460 851 1HB CYS 114 HB2 CYS 114 -9.029 3.484 -5.570 852 2HB CYS 114 HB1 CYS 114 -8.113 2.855 -6.937 853 H LEU 115 HN LEU 115 -10.347 6.228 -5.731 854 HA LEU 115 HA LEU 115 -10.489 8.130 -4.385 855 1HB LEU 115 HB2 LEU 115 -8.599 6.318 -3.289 856 2HB LEU 115 HB1 LEU 115 -7.916 7.929 -3.078 857 HG LEU 115 HG LEU 115 -10.721 7.107 -2.261 858 1HD1 LEU 115 HD12 LEU 115 -8.513 6.294 -0.992 859 2HD1 LEU 115 HD11 LEU 115 -8.607 7.918 -0.312 860 3HD1 LEU 115 HD13 LEU 115 -9.953 6.798 -0.107 861 1HD2 LEU 115 HD23 LEU 115 -9.814 9.627 -2.889 862 2HD2 LEU 115 HD22 LEU 115 -11.122 9.293 -1.756 863 3HD2 LEU 115 HD21 LEU 115 -9.484 9.555 -1.158 864 H SER 116 HN SER 116 -9.024 8.368 -7.036 865 HA SER 116 HA SER 116 -7.628 10.932 -6.413 866 1HB SER 116 HB2 SER 116 -5.871 9.364 -6.934 867 2HB SER 116 HB1 SER 116 -6.743 8.764 -8.341 868 HG SER 116 HG SER 116 -5.186 10.243 -9.001 869 H LEU 117 HN LEU 117 -8.055 9.536 -9.646 870 HA LEU 117 HA LEU 117 -9.162 10.365 -11.523 871 1HB LEU 117 HB2 LEU 117 -11.207 10.658 -9.328 872 2HB LEU 117 HB1 LEU 117 -11.577 11.134 -10.984 873 HG LEU 117 HG LEU 117 -10.360 8.616 -11.240 874 1HD1 LEU 117 HD12 LEU 117 -10.706 8.378 -8.756 875 2HD1 LEU 117 HD11 LEU 117 -12.440 8.520 -9.040 876 3HD1 LEU 117 HD13 LEU 117 -11.545 7.160 -9.717 877 1HD2 LEU 117 HD22 LEU 117 -13.294 9.393 -11.186 878 2HD2 LEU 117 HD21 LEU 117 -12.227 9.443 -12.590 879 3HD2 LEU 117 HD23 LEU 117 -12.663 7.894 -11.869 880 H LEU 118 HN LEU 118 -10.776 12.751 -9.442 881 HA LEU 118 HA LEU 118 -10.288 14.963 -11.067 882 1HB LEU 118 HB2 LEU 118 -10.903 14.682 -8.143 883 2HB LEU 118 HB1 LEU 118 -10.528 16.262 -8.814 884 HG LEU 118 HG LEU 118 -12.416 14.712 -10.458 885 1HD1 LEU 118 HD13 LEU 118 -12.889 15.091 -7.549 886 2HD1 LEU 118 HD12 LEU 118 -14.226 15.520 -8.616 887 3HD1 LEU 118 HD11 LEU 118 -13.556 13.888 -8.651 888 1HD2 LEU 118 HD22 LEU 118 -12.046 17.488 -9.414 889 2HD2 LEU 118 HD21 LEU 118 -12.356 16.941 -11.063 890 3HD2 LEU 118 HD23 LEU 118 -13.675 17.009 -9.893 891 H GLY 119 HN GLY 119 -7.874 13.434 -9.076 892 1HA GLY 119 HA2 GLY 119 -6.215 15.579 -8.343 893 2HA GLY 119 HA1 GLY 119 -5.628 13.960 -8.725 894 H ALA 120 HN ALA 120 -4.636 13.604 -10.698 895 HA ALA 120 HA ALA 120 -3.505 14.137 -12.683 896 1HB ALA 120 HB2 ALA 120 -6.189 15.332 -12.893 897 2HB ALA 120 HB1 ALA 120 -4.986 16.075 -13.948 898 3HB ALA 120 HB3 ALA 120 -5.301 14.342 -14.053 899 H GLY 121 HN GLY 121 -1.952 15.158 -11.092 900 1HA GLY 121 HA2 GLY 121 -1.890 17.982 -10.615 901 2HA GLY 121 HA1 GLY 121 -0.510 16.895 -10.466 902 H GLU 122 HN GLU 122 -1.246 16.163 -13.468 903 HA GLU 122 HA GLU 122 -0.500 16.810 -15.591 904 1HB GLU 122 HB2 GLU 122 -1.336 19.313 -14.292 905 2HB GLU 122 HB1 GLU 122 -0.098 19.556 -15.523 906 1HG GLU 122 HG2 GLU 122 -1.467 18.282 -17.144 907 2HG GLU 122 HG1 GLU 122 -2.711 18.067 -15.913 No H/Q in entry = 907 Start of MODEL 11 Raw file had 930 H/Q atoms Start of MODEL 11 1 1H SER 1 HT2 SER 1 -14.656 10.378 1.762 2 2H SER 1 HT1 SER 1 -12.992 10.707 1.699 3 3H SER 1 HT3 SER 1 -13.570 9.177 1.252 4 HA SER 1 HA SER 1 -12.710 8.842 3.371 5 1HB SER 1 HB2 SER 1 -13.026 10.374 5.204 6 2HB SER 1 HB1 SER 1 -12.510 11.320 3.810 7 HG SER 1 HG SER 1 -14.932 11.266 5.153 8 H VAL 2 HN VAL 2 -15.996 10.266 3.162 9 HA VAL 2 HA VAL 2 -17.417 8.840 5.036 10 HB VAL 2 HB VAL 2 -19.372 8.938 3.477 11 1HG1 VAL 2 HG12 VAL 2 -17.562 11.348 3.751 12 2HG1 VAL 2 HG11 VAL 2 -19.211 11.455 3.137 13 3HG1 VAL 2 HG13 VAL 2 -18.917 10.894 4.783 14 1HG2 VAL 2 HG23 VAL 2 -17.151 9.354 1.544 15 2HG2 VAL 2 HG22 VAL 2 -18.743 8.637 1.294 16 3HG2 VAL 2 HG21 VAL 2 -18.563 10.391 1.329 17 H GLY 3 HN GLY 3 -16.343 7.529 1.899 18 1HA GLY 3 HA2 GLY 3 -17.776 5.043 2.077 19 2HA GLY 3 HA1 GLY 3 -16.368 5.339 1.059 20 H THR 4 HN THR 4 -17.484 4.045 4.077 21 HA THR 4 HA THR 4 -14.739 3.003 4.629 22 HB THR 4 HB THR 4 -15.183 4.847 6.206 23 HG1 THR 4 HG1 THR 4 -15.085 3.528 8.147 24 1HG2 THR 4 HG23 THR 4 -17.822 3.596 6.265 25 2HG2 THR 4 HG22 THR 4 -17.183 3.869 7.884 26 3HG2 THR 4 HG21 THR 4 -17.339 5.218 6.760 27 H SER 5 HN SER 5 -16.414 1.488 3.193 28 HA SER 5 HA SER 5 -18.020 -0.259 4.947 29 1HB SER 5 HB2 SER 5 -18.583 0.504 2.504 30 2HB SER 5 HB1 SER 5 -17.477 -0.781 2.030 31 HG SER 5 HG SER 5 -20.015 -0.923 2.996 32 H CYS 6 HN CYS 6 -15.863 -0.727 6.120 33 HA CYS 6 HA CYS 6 -14.722 -3.239 4.997 34 1HB CYS 6 HB2 CYS 6 -12.920 -1.232 6.350 35 2HB CYS 6 HB1 CYS 6 -12.475 -2.595 5.327 36 H ILE 7 HN ILE 7 -12.896 -3.724 7.079 37 HA ILE 7 HA ILE 7 -14.148 -3.363 9.684 38 HB ILE 7 HB ILE 7 -14.116 -6.116 9.778 39 1HG1 ILE 7 HG12 ILE 7 -15.386 -5.364 7.119 40 2HG1 ILE 7 HG11 ILE 7 -13.866 -6.238 7.286 41 1HG2 ILE 7 HG22 ILE 7 -15.853 -4.208 10.404 42 2HG2 ILE 7 HG21 ILE 7 -16.650 -4.773 8.936 43 3HG2 ILE 7 HG23 ILE 7 -16.358 -5.893 10.267 44 1HD1 ILE 7 HD11 ILE 7 -15.466 -7.740 8.893 45 2HD1 ILE 7 HD13 ILE 7 -16.643 -7.184 7.701 46 3HD1 ILE 7 HD12 ILE 7 -15.215 -8.079 7.180 47 HA PRO 8 HA PRO 8 -9.973 -4.155 10.833 48 1HB PRO 8 HB2 PRO 8 -10.300 -4.717 13.503 49 2HB PRO 8 HB1 PRO 8 -10.414 -3.087 12.817 50 1HG PRO 8 HG2 PRO 8 -12.596 -4.873 13.780 51 2HG PRO 8 HG1 PRO 8 -12.556 -3.105 13.674 52 1HD PRO 8 HD2 PRO 8 -13.857 -4.859 11.866 53 2HD PRO 8 HD1 PRO 8 -13.555 -3.126 11.615 54 H GLY 9 HN GLY 9 -8.724 -6.061 10.464 55 1HA GLY 9 HA2 GLY 9 -7.982 -8.269 10.694 56 2HA GLY 9 HA1 GLY 9 -9.186 -8.504 11.954 57 H MET 10 HN MET 10 -10.757 -7.272 9.250 58 HA MET 10 HA MET 10 -11.352 -9.986 8.152 59 1HB MET 10 HB2 MET 10 -13.300 -7.745 8.764 60 2HB MET 10 HB1 MET 10 -13.718 -9.244 7.930 61 1HG MET 10 HG2 MET 10 -12.392 -9.267 10.642 62 2HG MET 10 HG1 MET 10 -14.144 -9.158 10.476 63 1HE MET 10 HE2 MET 10 -15.626 -10.693 9.978 64 2HE MET 10 HE1 MET 10 -15.218 -11.068 8.306 65 3HE MET 10 HE3 MET 10 -15.436 -12.372 9.480 66 H ALA 11 HN ALA 11 -10.156 -9.652 6.099 67 HA ALA 11 HA ALA 11 -10.083 -8.955 3.847 68 1HB ALA 11 HB3 ALA 11 -12.502 -7.883 4.433 69 2HB ALA 11 HB2 ALA 11 -11.560 -6.405 4.252 70 3HB ALA 11 HB1 ALA 11 -11.650 -7.559 2.923 71 H ILE 12 HN ILE 12 -10.098 -6.211 6.156 72 HA ILE 12 HA ILE 12 -7.534 -5.267 4.988 73 HB ILE 12 HB ILE 12 -9.357 -3.826 6.933 74 1HG1 ILE 12 HG12 ILE 12 -10.582 -4.281 4.846 75 2HG1 ILE 12 HG11 ILE 12 -10.189 -2.567 4.967 76 1HG2 ILE 12 HG22 ILE 12 -6.875 -3.146 5.417 77 2HG2 ILE 12 HG21 ILE 12 -8.078 -1.876 5.643 78 3HG2 ILE 12 HG23 ILE 12 -7.364 -2.673 7.045 79 1HD1 ILE 12 HD12 ILE 12 -7.984 -3.757 3.663 80 2HD1 ILE 12 HD11 ILE 12 -9.419 -4.469 2.924 81 3HD1 ILE 12 HD13 ILE 12 -9.213 -2.718 2.942 82 HA PRO 13 HA PRO 13 -6.263 -7.174 8.958 83 1HB PRO 13 HB2 PRO 13 -3.749 -7.929 8.170 84 2HB PRO 13 HB1 PRO 13 -5.207 -8.887 7.866 85 1HG PRO 13 HG2 PRO 13 -3.568 -7.342 5.953 86 2HG PRO 13 HG1 PRO 13 -4.735 -8.634 5.632 87 1HD PRO 13 HD2 PRO 13 -5.116 -5.798 5.345 88 2HD PRO 13 HD1 PRO 13 -6.311 -7.084 5.046 89 H HIS 14 HN HIS 14 -4.213 -6.876 10.328 90 HA HIS 14 HA HIS 14 -3.642 -4.035 10.530 91 1HB HIS 14 HB2 HIS 14 -2.549 -6.327 12.199 92 2HB HIS 14 HB1 HIS 14 -2.700 -4.645 12.643 93 HD1 HIS 14 HD1 HIS 14 -4.938 -3.858 13.628 94 HD2 HIS 14 HD2 HIS 14 -5.124 -7.699 12.021 95 HE1 HIS 14 HE1 HIS 14 -7.221 -4.793 14.248 96 H ASN 15 HN ASN 15 -1.525 -3.100 10.168 97 HA ASN 15 HA ASN 15 0.604 -2.903 9.240 98 1HB ASN 15 HB2 ASN 15 0.996 -4.584 11.167 99 2HB ASN 15 HB1 ASN 15 1.024 -5.819 9.909 100 1HD2 ASN 15 HD22 ASN 15 4.015 -2.985 9.897 101 2HD2 ASN 15 HD21 ASN 15 2.495 -2.574 10.530 102 HA PRO 16 HA PRO 16 -0.861 -5.293 5.465 103 1HB PRO 16 HB2 PRO 16 -2.046 -3.232 4.107 104 2HB PRO 16 HB1 PRO 16 -2.922 -4.273 5.243 105 1HG PRO 16 HG2 PRO 16 -1.998 -1.458 5.602 106 2HG PRO 16 HG1 PRO 16 -3.366 -2.296 6.354 107 1HD PRO 16 HD2 PRO 16 -0.862 -1.783 7.579 108 2HD PRO 16 HD1 PRO 16 -2.120 -2.891 8.162 109 H LEU 17 HN LEU 17 0.162 -5.252 3.465 110 HA LEU 17 HA LEU 17 1.880 -4.811 1.954 111 1HB LEU 17 HB2 LEU 17 0.998 -1.968 2.516 112 2HB LEU 17 HB1 LEU 17 1.867 -2.517 1.086 113 HG LEU 17 HG LEU 17 -0.884 -3.474 1.940 114 1HD1 LEU 17 HD13 LEU 17 -0.598 -1.079 1.025 115 2HD1 LEU 17 HD12 LEU 17 -0.173 -1.849 -0.503 116 3HD1 LEU 17 HD11 LEU 17 -1.766 -2.118 0.207 117 1HD2 LEU 17 HD22 LEU 17 0.846 -4.083 -0.479 118 2HD2 LEU 17 HD21 LEU 17 0.295 -5.226 0.746 119 3HD2 LEU 17 HD23 LEU 17 -0.864 -4.498 -0.365 120 H ASP 18 HN ASP 18 2.902 -5.195 4.562 121 HA ASP 18 HA ASP 18 4.746 -3.106 5.345 122 1HB ASP 18 HB2 ASP 18 5.902 -4.918 6.636 123 2HB ASP 18 HB1 ASP 18 4.161 -4.865 6.936 124 H SER 19 HN SER 19 4.908 -5.796 3.109 125 HA SER 19 HA SER 19 7.725 -5.740 2.563 126 1HB SER 19 HB2 SER 19 5.801 -7.434 1.835 127 2HB SER 19 HB1 SER 19 5.767 -6.415 0.399 128 HG SER 19 HG SER 19 8.030 -7.725 1.517 129 H CYS 20 HN CYS 20 5.043 -3.747 1.556 130 HA CYS 20 HA CYS 20 6.403 -2.518 -0.698 131 1HB CYS 20 HB2 CYS 20 3.976 -1.557 0.820 132 2HB CYS 20 HB1 CYS 20 4.480 -1.053 -0.794 133 H ARG 21 HN ARG 21 5.965 -1.755 2.735 134 HA ARG 21 HA ARG 21 7.008 0.914 2.565 135 1HB ARG 21 HB2 ARG 21 6.733 1.012 4.848 136 2HB ARG 21 HB1 ARG 21 5.731 -0.395 4.536 137 1HG ARG 21 HG2 ARG 21 7.511 -1.892 5.230 138 2HG ARG 21 HG1 ARG 21 8.661 -0.564 5.330 139 1HD ARG 21 HD2 ARG 21 6.559 0.262 6.959 140 2HD ARG 21 HD1 ARG 21 6.706 -1.464 7.295 141 HE ARG 21 HE ARG 21 9.046 0.394 7.472 142 1HH1 ARG 21 HH21 ARG 21 8.084 -2.778 7.925 143 2HH1 ARG 21 HH22 ARG 21 8.678 -2.916 9.547 144 1HH2 ARG 21 HH11 ARG 21 9.390 0.461 9.861 145 2HH2 ARG 21 HH12 ARG 21 9.415 -1.085 10.642 146 H TRP 22 HN TRP 22 8.520 -2.192 3.481 147 HA TRP 22 HA TRP 22 11.168 -1.107 3.677 148 1HB TRP 22 HB2 TRP 22 10.193 -3.933 3.421 149 2HB TRP 22 HB1 TRP 22 11.900 -3.548 3.319 150 HD1 TRP 22 HD1 TRP 22 9.548 -4.500 5.809 151 HE1 TRP 22 HE1 TRP 22 10.283 -3.708 8.166 152 HE3 TRP 22 HE3 TRP 22 13.022 -1.208 4.427 153 HZ2 TRP 22 HZ2 TRP 22 12.182 -1.823 9.284 154 HZ3 TRP 22 HZ3 TRP 22 14.329 0.119 6.099 155 HH2 TRP 22 HH2 TRP 22 13.905 -0.194 8.529 156 H TYR 23 HN TYR 23 9.289 -2.412 1.034 157 HA TYR 23 HA TYR 23 11.418 -2.722 -0.852 158 1HB TYR 23 HB2 TYR 23 9.224 -3.748 -1.227 159 2HB TYR 23 HB1 TYR 23 8.478 -2.157 -1.355 160 HD1 TYR 23 HD2 TYR 23 11.849 -2.841 -2.785 161 HD2 TYR 23 HD1 TYR 23 7.635 -2.563 -3.603 162 HE1 TYR 23 HE2 TYR 23 12.320 -2.787 -5.209 163 HE2 TYR 23 HE1 TYR 23 8.118 -2.519 -6.031 164 HH TYR 23 HH TYR 23 10.170 -3.439 -7.515 165 H VAL 24 HN VAL 24 9.501 0.071 0.192 166 HA VAL 24 HA VAL 24 10.466 1.831 -1.916 167 HB VAL 24 HB VAL 24 9.544 2.616 0.861 168 1HG1 VAL 24 HG13 VAL 24 10.057 4.103 -1.713 169 2HG1 VAL 24 HG12 VAL 24 8.943 4.751 -0.509 170 3HG1 VAL 24 HG11 VAL 24 10.635 4.478 -0.091 171 1HG2 VAL 24 HG21 VAL 24 8.027 1.330 -1.098 172 2HG2 VAL 24 HG23 VAL 24 7.386 2.301 0.226 173 3HG2 VAL 24 HG22 VAL 24 7.665 3.038 -1.351 174 H SER 25 HN SER 25 11.461 0.960 1.384 175 HA SER 25 HA SER 25 13.562 2.814 1.736 176 1HB SER 25 HB2 SER 25 13.880 -0.035 2.627 177 2HB SER 25 HB1 SER 25 14.358 1.444 3.453 178 HG SER 25 HG SER 25 12.520 1.175 4.450 179 H THR 26 HN THR 26 13.586 -0.327 0.054 180 HA THR 26 HA THR 26 16.434 -0.269 -0.524 181 HB THR 26 HB THR 26 14.148 -2.022 -1.453 182 HG1 THR 26 HG1 THR 26 14.679 -2.565 0.544 183 1HG2 THR 26 HG23 THR 26 16.984 -1.939 -2.395 184 2HG2 THR 26 HG22 THR 26 16.249 -3.519 -2.125 185 3HG2 THR 26 HG21 THR 26 15.523 -2.395 -3.272 186 H ARG 27 HN ARG 27 13.584 0.047 -2.669 187 HA ARG 27 HA ARG 27 15.021 0.633 -5.036 188 1HB ARG 27 HB2 ARG 27 12.584 0.031 -4.899 189 2HB ARG 27 HB1 ARG 27 12.266 1.666 -4.319 190 1HG ARG 27 HG2 ARG 27 13.152 2.622 -6.373 191 2HG ARG 27 HG1 ARG 27 13.646 1.025 -6.942 192 1HD ARG 27 HD2 ARG 27 10.796 1.211 -6.191 193 2HD ARG 27 HD1 ARG 27 11.254 2.218 -7.565 194 HE ARG 27 HE ARG 27 12.353 -0.412 -7.890 195 1HH1 ARG 27 HH11 ARG 27 9.248 -0.211 -7.014 196 2HH1 ARG 27 HH12 ARG 27 8.543 -0.563 -8.555 197 1HH2 ARG 27 HH21 ARG 27 11.514 -0.192 -10.301 198 2HH2 ARG 27 HH22 ARG 27 9.824 -0.554 -10.414 199 H THR 28 HN THR 28 14.252 2.650 -2.301 200 HA THR 28 HA THR 28 14.897 5.119 -3.778 201 HB THR 28 HB THR 28 14.056 6.303 -1.816 202 HG1 THR 28 HG1 THR 28 14.146 5.397 0.041 203 1HG2 THR 28 HG21 THR 28 12.422 3.949 -2.732 204 2HG2 THR 28 HG23 THR 28 11.775 5.204 -1.677 205 3HG2 THR 28 HG22 THR 28 12.341 5.618 -3.294 206 H CYS 29 HN CYS 29 15.996 3.905 -0.529 207 HA CYS 29 HA CYS 29 18.559 5.335 -0.998 208 1HB CYS 29 HB2 CYS 29 17.787 4.034 1.603 209 2HB CYS 29 HB1 CYS 29 18.869 5.395 1.331 210 H GLY 30 HN GLY 30 17.616 2.449 -1.853 211 1HA GLY 30 HA2 GLY 30 18.661 0.355 -2.170 212 2HA GLY 30 HA1 GLY 30 20.180 1.207 -1.890 213 H VAL 31 HN VAL 31 17.749 1.331 0.604 214 HA VAL 31 HA VAL 31 19.401 -0.480 2.327 215 HB VAL 31 HB VAL 31 17.441 1.679 3.179 216 1HG1 VAL 31 HG11 VAL 31 19.344 -0.158 4.610 217 2HG1 VAL 31 HG13 VAL 31 18.947 1.414 5.303 218 3HG1 VAL 31 HG12 VAL 31 17.670 0.235 5.005 219 1HG2 VAL 31 HG21 VAL 31 19.940 2.053 1.984 220 2HG2 VAL 31 HG23 VAL 31 19.070 3.230 2.963 221 3HG2 VAL 31 HG22 VAL 31 20.274 2.179 3.708 222 H GLY 32 HN GLY 32 18.067 -1.702 4.011 223 1HA GLY 32 HA2 GLY 32 15.600 -2.310 4.502 224 2HA GLY 32 HA1 GLY 32 15.544 -2.620 2.764 225 HA PRO 33 HA PRO 33 17.066 -6.482 5.142 226 1HB PRO 33 HB2 PRO 33 15.052 -8.215 4.322 227 2HB PRO 33 HB1 PRO 33 15.038 -7.319 5.850 228 1HG PRO 33 HG2 PRO 33 13.573 -6.742 3.300 229 2HG PRO 33 HG1 PRO 33 13.054 -6.493 4.977 230 1HD PRO 33 HD2 PRO 33 13.933 -4.469 3.363 231 2HD PRO 33 HD1 PRO 33 14.078 -4.444 5.135 232 H ARG 34 HN ARG 34 17.528 -8.732 3.895 233 HA ARG 34 HA ARG 34 18.563 -7.944 1.248 234 1HB ARG 34 HB2 ARG 34 19.087 -10.204 3.163 235 2HB ARG 34 HB1 ARG 34 19.586 -10.354 1.478 236 1HG ARG 34 HG2 ARG 34 21.444 -9.428 2.723 237 2HG ARG 34 HG1 ARG 34 20.778 -8.148 1.710 238 1HD ARG 34 HD2 ARG 34 19.804 -7.040 3.515 239 2HD ARG 34 HD1 ARG 34 19.742 -8.498 4.506 240 HE ARG 34 HE ARG 34 21.872 -7.912 5.306 241 1HH1 ARG 34 HH11 ARG 34 21.146 -5.300 3.570 242 2HH1 ARG 34 HH12 ARG 34 22.716 -5.011 2.896 243 1HH2 ARG 34 HH21 ARG 34 23.981 -8.098 3.842 244 2HH2 ARG 34 HH22 ARG 34 24.321 -6.596 3.051 245 H LEU 35 HN LEU 35 16.447 -7.875 0.275 246 HA LEU 35 HA LEU 35 15.510 -10.552 -0.661 247 1HB LEU 35 HB2 LEU 35 13.915 -8.208 0.363 248 2HB LEU 35 HB1 LEU 35 13.214 -9.297 -0.835 249 HG LEU 35 HG LEU 35 13.854 -11.217 0.702 250 1HD1 LEU 35 HD12 LEU 35 14.827 -8.900 2.256 251 2HD1 LEU 35 HD11 LEU 35 13.871 -10.053 3.186 252 3HD1 LEU 35 HD13 LEU 35 15.314 -10.592 2.331 253 1HD2 LEU 35 HD21 LEU 35 11.797 -9.118 1.257 254 2HD2 LEU 35 HD23 LEU 35 11.584 -10.800 0.770 255 3HD2 LEU 35 HD22 LEU 35 12.000 -10.411 2.440 256 H ALA 36 HN ALA 36 15.591 -10.661 -2.866 257 HA ALA 36 HA ALA 36 16.691 -8.648 -4.483 258 1HB ALA 36 HB3 ALA 36 16.301 -11.169 -4.968 259 2HB ALA 36 HB2 ALA 36 14.745 -10.647 -5.615 260 3HB ALA 36 HB1 ALA 36 16.243 -10.039 -6.320 261 H THR 37 HN THR 37 15.642 -7.373 -6.248 262 HA THR 37 HA THR 37 13.432 -5.809 -5.249 263 HB THR 37 HB THR 37 14.155 -5.637 -8.135 264 HG1 THR 37 HG1 THR 37 15.937 -5.103 -6.001 265 1HG2 THR 37 HG22 THR 37 12.652 -4.027 -6.979 266 2HG2 THR 37 HG21 THR 37 13.991 -3.589 -5.912 267 3HG2 THR 37 HG23 THR 37 14.095 -3.251 -7.641 268 H GLN 38 HN GLN 38 13.676 -8.314 -7.764 269 HA GLN 38 HA GLN 38 11.007 -7.942 -8.783 270 1HB GLN 38 HB2 GLN 38 13.241 -9.549 -9.408 271 2HB GLN 38 HB1 GLN 38 11.943 -10.683 -9.047 272 1HG GLN 38 HG2 GLN 38 11.096 -10.301 -11.100 273 2HG GLN 38 HG1 GLN 38 10.767 -8.638 -10.620 274 1HE2 GLN 38 HE22 GLN 38 13.091 -7.455 -12.977 275 2HE2 GLN 38 HE21 GLN 38 11.592 -7.264 -12.203 276 H GLU 39 HN GLU 39 12.356 -10.130 -6.339 277 HA GLU 39 HA GLU 39 9.891 -11.520 -5.793 278 1HB GLU 39 HB2 GLU 39 12.506 -11.230 -4.311 279 2HB GLU 39 HB1 GLU 39 11.149 -12.121 -3.621 280 1HG GLU 39 HG2 GLU 39 11.298 -13.822 -5.161 281 2HG GLU 39 HG1 GLU 39 11.889 -12.757 -6.437 282 H MET 40 HN MET 40 11.313 -8.520 -4.639 283 HA MET 40 HA MET 40 9.671 -8.203 -2.277 284 1HB MET 40 HB2 MET 40 11.847 -6.935 -3.078 285 2HB MET 40 HB1 MET 40 10.698 -5.897 -3.910 286 1HG MET 40 HG2 MET 40 10.759 -4.791 -1.898 287 2HG MET 40 HG1 MET 40 9.492 -5.962 -1.521 288 1HE MET 40 HE2 MET 40 9.564 -5.684 0.552 289 2HE MET 40 HE1 MET 40 10.146 -7.129 1.374 290 3HE MET 40 HE3 MET 40 10.939 -5.573 1.647 291 H LYS 41 HN LYS 41 9.610 -6.776 -5.510 292 HA LYS 41 HA LYS 41 7.138 -5.411 -5.393 293 1HB LYS 41 HB2 LYS 41 8.818 -5.211 -7.236 294 2HB LYS 41 HB1 LYS 41 8.341 -6.811 -7.802 295 1HG LYS 41 HG2 LYS 41 5.919 -5.425 -7.533 296 2HG LYS 41 HG1 LYS 41 7.028 -4.237 -8.216 297 1HD LYS 41 HD2 LYS 41 7.693 -6.012 -9.917 298 2HD LYS 41 HD1 LYS 41 6.327 -6.961 -9.332 299 1HE LYS 41 HE2 LYS 41 4.759 -5.262 -9.982 300 2HE LYS 41 HE1 LYS 41 6.052 -4.108 -10.307 301 1HZ LYS 41 HZ1 LYS 41 5.860 -6.684 -11.749 302 2HZ LYS 41 HZ3 LYS 41 5.039 -5.299 -12.285 303 3HZ LYS 41 HZ2 LYS 41 6.737 -5.293 -12.182 304 H ALA 42 HN ALA 42 7.863 -8.806 -6.021 305 HA ALA 42 HA ALA 42 5.216 -9.578 -6.883 306 1HB ALA 42 HB2 ALA 42 7.522 -11.169 -5.730 307 2HB ALA 42 HB1 ALA 42 6.029 -11.903 -6.314 308 3HB ALA 42 HB3 ALA 42 7.073 -11.020 -7.429 309 H ARG 43 HN ARG 43 6.867 -9.457 -3.751 310 HA ARG 43 HA ARG 43 4.852 -10.783 -2.201 311 1HB ARG 43 HB2 ARG 43 7.214 -9.084 -1.664 312 2HB ARG 43 HB1 ARG 43 5.952 -8.993 -0.435 313 1HG ARG 43 HG2 ARG 43 6.961 -10.862 0.393 314 2HG ARG 43 HG1 ARG 43 6.041 -11.687 -0.866 315 1HD ARG 43 HD2 ARG 43 7.899 -11.678 -2.362 316 2HD ARG 43 HD1 ARG 43 8.797 -10.545 -1.356 317 HE ARG 43 HE ARG 43 8.906 -13.362 -1.072 318 1HH1 ARG 43 HH11 ARG 43 9.392 -10.454 0.595 319 2HH1 ARG 43 HH12 ARG 43 9.561 -11.187 2.155 320 1HH2 ARG 43 HH21 ARG 43 8.675 -14.354 1.063 321 2HH2 ARG 43 HH22 ARG 43 9.155 -13.390 2.419 322 H CYS 44 HN CYS 44 5.329 -7.427 -3.203 323 HA CYS 44 HA CYS 44 3.135 -6.345 -1.652 324 1HB CYS 44 HB2 CYS 44 4.778 -5.306 -3.930 325 2HB CYS 44 HB1 CYS 44 3.308 -4.471 -3.421 326 H CYS 45 HN CYS 45 3.422 -7.705 -4.934 327 HA CYS 45 HA CYS 45 0.802 -6.793 -5.795 328 1HB CYS 45 HB2 CYS 45 2.466 -9.097 -6.872 329 2HB CYS 45 HB1 CYS 45 1.055 -8.401 -7.641 330 H ARG 46 HN ARG 46 2.026 -9.565 -4.054 331 HA ARG 46 HA ARG 46 -0.430 -11.120 -4.270 332 1HB ARG 46 HB2 ARG 46 2.020 -11.915 -3.793 333 2HB ARG 46 HB1 ARG 46 1.646 -11.534 -2.127 334 1HG ARG 46 HG2 ARG 46 1.025 -13.793 -2.302 335 2HG ARG 46 HG1 ARG 46 -0.499 -12.926 -2.475 336 1HD ARG 46 HD2 ARG 46 0.456 -13.035 -5.081 337 2HD ARG 46 HD1 ARG 46 0.916 -14.602 -4.416 338 HE ARG 46 HE ARG 46 -1.896 -13.637 -4.150 339 1HH1 ARG 46 HH11 ARG 46 -1.964 -16.167 -3.127 340 2HH1 ARG 46 HH12 ARG 46 -2.035 -17.267 -4.463 341 1HH2 ARG 46 HH21 ARG 46 -0.934 -14.935 -6.781 342 2HH2 ARG 46 HH22 ARG 46 -1.452 -16.569 -6.532 343 H GLN 47 HN GLN 47 1.007 -8.855 -1.957 344 HA GLN 47 HA GLN 47 -0.957 -9.344 0.140 345 1HB GLN 47 HB2 GLN 47 0.980 -7.064 -0.361 346 2HB GLN 47 HB1 GLN 47 -0.065 -7.154 1.055 347 1HG GLN 47 HG2 GLN 47 1.276 -9.686 0.714 348 2HG GLN 47 HG1 GLN 47 2.470 -8.390 0.681 349 1HE2 GLN 47 HE22 GLN 47 2.403 -8.314 4.199 350 2HE2 GLN 47 HE21 GLN 47 3.332 -8.424 2.784 351 H LEU 48 HN LEU 48 -0.608 -7.065 -2.506 352 HA LEU 48 HA LEU 48 -2.869 -5.434 -1.847 353 1HB LEU 48 HB2 LEU 48 -1.292 -4.398 -3.261 354 2HB LEU 48 HB1 LEU 48 -1.153 -5.785 -4.324 355 HG LEU 48 HG LEU 48 -3.789 -4.351 -4.090 356 1HD1 LEU 48 HD13 LEU 48 -1.269 -3.373 -5.366 357 2HD1 LEU 48 HD12 LEU 48 -2.780 -3.128 -6.240 358 3HD1 LEU 48 HD11 LEU 48 -2.578 -2.455 -4.622 359 1HD2 LEU 48 HD23 LEU 48 -2.401 -6.216 -5.956 360 2HD2 LEU 48 HD22 LEU 48 -4.104 -6.143 -5.501 361 3HD2 LEU 48 HD21 LEU 48 -3.459 -5.009 -6.688 362 H GLU 49 HN GLU 49 -2.473 -7.956 -4.424 363 HA GLU 49 HA GLU 49 -5.193 -8.181 -5.178 364 1HB GLU 49 HB2 GLU 49 -2.964 -9.388 -6.026 365 2HB GLU 49 HB1 GLU 49 -3.506 -10.667 -4.937 366 1HG GLU 49 HG2 GLU 49 -5.469 -9.436 -6.843 367 2HG GLU 49 HG1 GLU 49 -4.329 -10.642 -7.441 368 H ALA 50 HN ALA 50 -3.483 -9.311 -2.292 369 HA ALA 50 HA ALA 50 -5.367 -11.250 -1.333 370 1HB ALA 50 HB2 ALA 50 -2.980 -10.066 -0.394 371 2HB ALA 50 HB1 ALA 50 -4.196 -9.691 0.825 372 3HB ALA 50 HB3 ALA 50 -3.886 -11.368 0.374 373 H ILE 51 HN ILE 51 -4.956 -7.833 -0.326 374 HA ILE 51 HA ILE 51 -7.429 -7.534 1.062 375 HB ILE 51 HB ILE 51 -5.985 -5.384 -0.526 376 1HG1 ILE 51 HG12 ILE 51 -4.382 -6.490 0.976 377 2HG1 ILE 51 HG11 ILE 51 -4.784 -4.893 1.597 378 1HG2 ILE 51 HG22 ILE 51 -8.391 -5.242 0.761 379 2HG2 ILE 51 HG21 ILE 51 -7.288 -4.767 2.052 380 3HG2 ILE 51 HG23 ILE 51 -7.307 -3.871 0.533 381 1HD1 ILE 51 HD11 ILE 51 -6.106 -7.458 2.522 382 2HD1 ILE 51 HD13 ILE 51 -4.781 -6.660 3.370 383 3HD1 ILE 51 HD12 ILE 51 -6.340 -5.849 3.203 384 HA PRO 52 HA PRO 52 -9.747 -8.296 -2.778 385 1HB PRO 52 HB2 PRO 52 -12.259 -8.112 -1.621 386 2HB PRO 52 HB1 PRO 52 -11.274 -9.584 -1.694 387 1HG PRO 52 HG2 PRO 52 -11.642 -7.670 0.599 388 2HG PRO 52 HG1 PRO 52 -11.479 -9.437 0.629 389 1HD PRO 52 HD2 PRO 52 -9.399 -7.774 1.262 390 2HD PRO 52 HD1 PRO 52 -9.148 -9.359 0.494 391 H ALA 53 HN ALA 53 -10.895 -7.084 -4.242 392 HA ALA 53 HA ALA 53 -10.408 -4.449 -4.650 393 1HB ALA 53 HB3 ALA 53 -12.827 -6.065 -5.386 394 2HB ALA 53 HB2 ALA 53 -12.664 -4.385 -5.897 395 3HB ALA 53 HB1 ALA 53 -11.467 -5.579 -6.397 396 H TYR 54 HN TYR 54 -12.915 -5.661 -2.486 397 HA TYR 54 HA TYR 54 -14.104 -3.046 -1.980 398 1HB TYR 54 HB2 TYR 54 -14.171 -5.568 -0.280 399 2HB TYR 54 HB1 TYR 54 -15.235 -4.172 -0.107 400 HD1 TYR 54 HD2 TYR 54 -16.402 -3.439 -2.431 401 HD2 TYR 54 HD1 TYR 54 -15.003 -7.386 -1.471 402 HE1 TYR 54 HE2 TYR 54 -17.935 -4.396 -4.130 403 HE2 TYR 54 HE1 TYR 54 -16.536 -8.343 -3.169 404 HH TYR 54 HH TYR 54 -17.732 -7.685 -5.143 405 H CYS 55 HN CYS 55 -12.844 -1.504 -1.061 406 HA CYS 55 HA CYS 55 -11.475 -0.427 0.527 407 1HB CYS 55 HB2 CYS 55 -11.186 -3.099 1.935 408 2HB CYS 55 HB1 CYS 55 -10.891 -1.496 2.592 409 H ARG 56 HN ARG 56 -10.495 -2.389 -1.857 410 HA ARG 56 HA ARG 56 -8.005 -3.516 -1.357 411 1HB ARG 56 HB2 ARG 56 -9.377 -2.487 -3.699 412 2HB ARG 56 HB1 ARG 56 -7.662 -2.109 -3.802 413 1HG ARG 56 HG2 ARG 56 -7.157 -4.522 -3.294 414 2HG ARG 56 HG1 ARG 56 -8.882 -4.852 -3.396 415 1HD ARG 56 HD2 ARG 56 -8.877 -3.929 -5.737 416 2HD ARG 56 HD1 ARG 56 -7.140 -3.733 -5.619 417 HE ARG 56 HE ARG 56 -7.630 -5.936 -6.710 418 1HH1 ARG 56 HH21 ARG 56 -6.042 -6.240 -4.212 419 2HH1 ARG 56 HH22 ARG 56 -6.759 -7.660 -3.534 420 1HH2 ARG 56 HH11 ARG 56 -9.504 -7.544 -5.627 421 2HH2 ARG 56 HH12 ARG 56 -8.709 -8.435 -4.376 422 H CYS 57 HN CYS 57 -7.790 -0.367 -3.052 423 HA CYS 57 HA CYS 57 -5.304 0.434 -2.215 424 1HB CYS 57 HB2 CYS 57 -7.775 2.040 -2.750 425 2HB CYS 57 HB1 CYS 57 -6.274 2.846 -2.285 426 H GLU 58 HN GLU 58 -8.179 0.848 -0.044 427 HA GLU 58 HA GLU 58 -7.346 2.504 1.922 428 1HB GLU 58 HB2 GLU 58 -9.281 0.641 1.802 429 2HB GLU 58 HB1 GLU 58 -8.199 -0.153 2.944 430 1HG GLU 58 HG2 GLU 58 -9.006 1.173 4.576 431 2HG GLU 58 HG1 GLU 58 -8.308 2.564 3.748 432 H ALA 59 HN ALA 59 -6.063 -0.850 1.628 433 HA ALA 59 HA ALA 59 -4.528 -1.149 3.887 434 1HB ALA 59 HB1 ALA 59 -4.283 -2.047 1.099 435 2HB ALA 59 HB3 ALA 59 -2.773 -2.086 2.009 436 3HB ALA 59 HB2 ALA 59 -4.179 -2.976 2.593 437 H VAL 60 HN VAL 60 -3.300 0.479 0.962 438 HA VAL 60 HA VAL 60 -0.810 1.318 2.049 439 HB VAL 60 HB VAL 60 -2.519 2.655 -0.080 440 1HG1 VAL 60 HG12 VAL 60 0.161 3.294 1.062 441 2HG1 VAL 60 HG11 VAL 60 0.024 3.352 -0.695 442 3HG1 VAL 60 HG13 VAL 60 -1.020 4.363 0.307 443 1HG2 VAL 60 HG23 VAL 60 -0.193 0.711 -0.199 444 2HG2 VAL 60 HG22 VAL 60 -1.867 0.366 -0.639 445 3HG2 VAL 60 HG21 VAL 60 -0.916 1.498 -1.604 446 H ARG 61 HN ARG 61 -3.998 2.906 2.056 447 HA ARG 61 HA ARG 61 -3.246 5.359 3.293 448 1HB ARG 61 HB2 ARG 61 -5.580 4.364 2.356 449 2HB ARG 61 HB1 ARG 61 -5.849 4.161 4.087 450 1HG ARG 61 HG2 ARG 61 -6.662 6.358 3.407 451 2HG ARG 61 HG1 ARG 61 -5.236 6.558 4.424 452 1HD ARG 61 HD2 ARG 61 -4.192 7.674 2.773 453 2HD ARG 61 HD1 ARG 61 -4.384 6.295 1.689 454 HE ARG 61 HE ARG 61 -6.089 7.512 0.627 455 1HH1 ARG 61 HH11 ARG 61 -8.383 7.881 1.757 456 2HH1 ARG 61 HH12 ARG 61 -8.416 9.392 2.604 457 1HH2 ARG 61 HH21 ARG 61 -4.966 9.747 2.644 458 2HH2 ARG 61 HH22 ARG 61 -6.482 10.449 3.106 459 H ILE 62 HN ILE 62 -3.784 2.168 4.646 460 HA ILE 62 HA ILE 62 -3.825 3.049 7.423 461 HB ILE 62 HB ILE 62 -3.775 0.363 6.027 462 1HG1 ILE 62 HG12 ILE 62 -5.820 0.332 7.822 463 2HG1 ILE 62 HG11 ILE 62 -5.705 2.063 7.505 464 1HG2 ILE 62 HG21 ILE 62 -3.112 0.923 8.904 465 2HG2 ILE 62 HG23 ILE 62 -4.083 -0.499 8.524 466 3HG2 ILE 62 HG22 ILE 62 -2.470 -0.322 7.834 467 1HD1 ILE 62 HD11 ILE 62 -5.578 0.283 5.129 468 2HD1 ILE 62 HD13 ILE 62 -7.136 0.382 5.948 469 3HD1 ILE 62 HD12 ILE 62 -6.374 1.845 5.327 470 H LEU 63 HN LEU 63 -1.345 1.937 5.165 471 HA LEU 63 HA LEU 63 0.609 1.530 7.297 472 1HB LEU 63 HB2 LEU 63 0.663 0.418 4.982 473 2HB LEU 63 HB1 LEU 63 1.277 1.960 4.383 474 HG LEU 63 HG LEU 63 2.918 1.651 6.489 475 1HD1 LEU 63 HD12 LEU 63 1.748 -0.561 6.990 476 2HD1 LEU 63 HD11 LEU 63 2.503 -1.184 5.523 477 3HD1 LEU 63 HD13 LEU 63 3.505 -0.632 6.865 478 1HD2 LEU 63 HD22 LEU 63 3.214 1.691 3.810 479 2HD2 LEU 63 HD21 LEU 63 4.549 1.326 4.904 480 3HD2 LEU 63 HD23 LEU 63 3.669 0.015 4.116 481 H MET 64 HN MET 64 -0.044 4.125 4.991 482 HA MET 64 HA MET 64 2.168 5.740 5.975 483 1HB MET 64 HB2 MET 64 1.138 5.816 3.617 484 2HB MET 64 HB1 MET 64 -0.189 6.732 4.333 485 1HG MET 64 HG2 MET 64 2.342 7.821 5.220 486 2HG MET 64 HG1 MET 64 2.303 7.737 3.459 487 1HE MET 64 HE1 MET 64 1.393 8.994 6.561 488 2HE MET 64 HE3 MET 64 0.625 10.560 6.273 489 3HE MET 64 HE2 MET 64 -0.364 9.121 6.505 490 H ASP 65 HN ASP 65 -1.425 5.993 6.210 491 HA ASP 65 HA ASP 65 -1.157 8.124 8.206 492 1HB ASP 65 HB2 ASP 65 -3.594 6.870 6.896 493 2HB ASP 65 HB1 ASP 65 -3.746 7.843 8.357 494 H GLY 66 HN GLY 66 -1.454 4.667 8.303 495 1HA GLY 66 HA2 GLY 66 -1.146 3.320 10.250 496 2HA GLY 66 HA1 GLY 66 -1.355 4.759 11.251 497 H VAL 67 HN VAL 67 -2.697 2.082 11.378 498 HA VAL 67 HA VAL 67 -5.541 2.970 11.083 499 HB VAL 67 HB VAL 67 -5.040 1.124 9.582 500 1HG1 VAL 67 HG12 VAL 67 -4.161 -0.338 12.087 501 2HG1 VAL 67 HG11 VAL 67 -4.286 -1.057 10.481 502 3HG1 VAL 67 HG13 VAL 67 -3.099 0.211 10.790 503 1HG2 VAL 67 HG22 VAL 67 -7.255 1.169 10.733 504 2HG2 VAL 67 HG21 VAL 67 -6.741 -0.463 10.307 505 3HG2 VAL 67 HG23 VAL 67 -6.596 0.100 11.972 506 H VAL 68 HN VAL 68 -7.024 2.109 12.710 507 HA VAL 68 HA VAL 68 -5.674 1.719 15.340 508 HB VAL 68 HB VAL 68 -8.280 3.115 14.666 509 1HG1 VAL 68 HG13 VAL 68 -7.039 2.524 17.380 510 2HG1 VAL 68 HG12 VAL 68 -8.430 3.574 17.109 511 3HG1 VAL 68 HG11 VAL 68 -8.549 1.848 16.767 512 1HG2 VAL 68 HG21 VAL 68 -5.514 3.911 15.482 513 2HG2 VAL 68 HG23 VAL 68 -6.596 4.671 14.315 514 3HG2 VAL 68 HG22 VAL 68 -6.866 4.896 16.044 515 H THR 69 HN THR 69 -6.796 0.422 16.867 516 HA THR 69 HA THR 69 -8.383 -1.772 15.650 517 HB THR 69 HB THR 69 -7.339 -3.206 17.438 518 HG1 THR 69 HG1 THR 69 -6.007 -2.329 18.800 519 1HG2 THR 69 HG21 THR 69 -6.482 -2.992 15.060 520 2HG2 THR 69 HG23 THR 69 -5.302 -1.832 15.672 521 3HG2 THR 69 HG22 THR 69 -5.276 -3.501 16.241 522 H SER 70 HN SER 70 -9.837 -2.847 17.095 523 HA SER 70 HA SER 70 -11.600 -1.085 18.450 524 1HB SER 70 HB2 SER 70 -12.316 -3.205 17.415 525 2HB SER 70 HB1 SER 70 -11.393 -4.097 18.621 526 HG SER 70 HG SER 70 -13.856 -3.338 18.833 527 H SER 71 HN SER 71 -8.990 -3.076 19.561 528 HA SER 71 HA SER 71 -9.580 -2.986 22.379 529 1HB SER 71 HB2 SER 71 -7.046 -3.487 22.540 530 2HB SER 71 HB1 SER 71 -8.068 -4.674 21.738 531 HG SER 71 HG SER 71 -7.222 -4.143 19.851 532 H GLY 72 HN GLY 72 -8.316 -0.632 20.190 533 1HA GLY 72 HA2 GLY 72 -8.149 1.723 20.861 534 2HA GLY 72 HA1 GLY 72 -7.727 1.170 22.482 535 H GLN 73 HN GLN 73 -6.156 -0.676 20.023 536 HA GLN 73 HA GLN 73 -3.593 0.734 20.632 537 1HB GLN 73 HB2 GLN 73 -4.096 -2.018 19.453 538 2HB GLN 73 HB1 GLN 73 -2.520 -1.355 19.882 539 1HG GLN 73 HG2 GLN 73 -4.338 -1.108 22.128 540 2HG GLN 73 HG1 GLN 73 -4.295 -2.777 21.569 541 1HE2 GLN 73 HE22 GLN 73 -1.454 -3.010 23.711 542 2HE2 GLN 73 HE21 GLN 73 -3.108 -3.368 23.561 543 H HIS 74 HN HIS 74 -2.091 1.135 18.819 544 HA HIS 74 HA HIS 74 -3.506 1.470 16.202 545 1HB HIS 74 HB2 HIS 74 -1.404 3.104 17.600 546 2HB HIS 74 HB1 HIS 74 -1.607 3.200 15.869 547 HD1 HIS 74 HD1 HIS 74 -2.664 5.468 15.625 548 HD2 HIS 74 HD2 HIS 74 -4.628 3.124 18.456 549 HE1 HIS 74 HE1 HIS 74 -4.734 6.754 16.306 550 H GLU 75 HN GLU 75 -2.176 1.128 14.302 551 HA GLU 75 HA GLU 75 0.410 -0.242 14.665 552 1HB GLU 75 HB2 GLU 75 -1.849 -1.505 13.095 553 2HB GLU 75 HB1 GLU 75 -0.238 -2.175 13.357 554 1HG GLU 75 HG2 GLU 75 -0.734 -2.067 15.855 555 2HG GLU 75 HG1 GLU 75 -2.408 -1.729 15.416 556 H GLY 76 HN GLY 76 1.010 -1.011 12.211 557 1HA GLY 76 HA2 GLY 76 1.754 -0.238 10.124 558 2HA GLY 76 HA1 GLY 76 0.235 0.661 10.032 559 H ARG 77 HN ARG 77 1.219 2.544 9.194 560 HA ARG 77 HA ARG 77 2.299 4.645 9.307 561 1HB ARG 77 HB2 ARG 77 0.778 4.603 11.399 562 2HB ARG 77 HB1 ARG 77 2.257 4.283 12.304 563 1HG ARG 77 HG2 ARG 77 3.062 6.396 11.996 564 2HG ARG 77 HG1 ARG 77 2.423 6.508 10.356 565 1HD ARG 77 HD2 ARG 77 0.093 6.547 11.597 566 2HD ARG 77 HD1 ARG 77 1.064 7.102 12.961 567 HE ARG 77 HE ARG 77 1.632 8.564 10.507 568 1HH1 ARG 77 HH11 ARG 77 -1.296 8.268 12.012 569 2HH1 ARG 77 HH12 ARG 77 -1.410 9.910 12.553 570 1HH2 ARG 77 HH21 ARG 77 1.870 10.684 11.728 571 2HH2 ARG 77 HH22 ARG 77 0.383 11.280 12.388 572 H LEU 78 HN LEU 78 3.936 2.099 9.339 573 HA LEU 78 HA LEU 78 6.247 2.728 11.021 574 1HB LEU 78 HB2 LEU 78 5.303 0.429 9.422 575 2HB LEU 78 HB1 LEU 78 7.051 0.651 9.437 576 HG LEU 78 HG LEU 78 7.018 0.722 11.912 577 1HD1 LEU 78 HD13 LEU 78 4.054 0.210 11.522 578 2HD1 LEU 78 HD12 LEU 78 4.893 0.029 13.064 579 3HD1 LEU 78 HD11 LEU 78 4.795 1.613 12.293 580 1HD2 LEU 78 HD21 LEU 78 6.771 -1.503 10.294 581 2HD2 LEU 78 HD23 LEU 78 7.154 -1.545 12.014 582 3HD2 LEU 78 HD22 LEU 78 5.489 -1.762 11.478 583 H LEU 79 HN LEU 79 5.236 3.557 7.801 584 HA LEU 79 HA LEU 79 7.979 3.793 6.758 585 1HB LEU 79 HB2 LEU 79 6.892 4.952 4.829 586 2HB LEU 79 HB1 LEU 79 6.210 3.360 5.150 587 HG LEU 79 HG LEU 79 4.697 5.131 6.739 588 1HD1 LEU 79 HD11 LEU 79 5.704 6.451 4.309 589 2HD1 LEU 79 HD13 LEU 79 3.944 6.454 4.431 590 3HD1 LEU 79 HD12 LEU 79 4.919 7.147 5.725 591 1HD2 LEU 79 HD22 LEU 79 4.336 3.423 4.339 592 2HD2 LEU 79 HD21 LEU 79 3.416 3.463 5.842 593 3HD2 LEU 79 HD23 LEU 79 3.098 4.656 4.583 594 H GLN 80 HN GLN 80 8.905 5.078 8.426 595 HA GLN 80 HA GLN 80 8.183 7.985 8.312 596 1HB GLN 80 HB2 GLN 80 9.240 6.530 10.750 597 2HB GLN 80 HB1 GLN 80 8.657 8.193 10.666 598 1HG GLN 80 HG2 GLN 80 6.404 7.279 9.979 599 2HG GLN 80 HG1 GLN 80 7.022 5.665 10.328 600 1HE2 GLN 80 HE22 GLN 80 7.324 6.416 13.908 601 2HE2 GLN 80 HE21 GLN 80 8.250 5.709 12.673 602 H ASP 81 HN ASP 81 10.147 9.093 9.620 603 HA ASP 81 HA ASP 81 12.296 9.308 7.862 604 1HB ASP 81 HB2 ASP 81 12.203 9.828 10.851 605 2HB ASP 81 HB1 ASP 81 13.548 10.295 9.807 606 H LEU 82 HN LEU 82 13.349 7.554 7.208 607 HA LEU 82 HA LEU 82 14.550 5.623 9.122 608 1HB LEU 82 HB2 LEU 82 13.963 5.619 6.164 609 2HB LEU 82 HB1 LEU 82 15.155 4.506 6.809 610 HG LEU 82 HG LEU 82 12.366 4.737 7.952 611 1HD1 LEU 82 HD12 LEU 82 12.734 3.988 5.401 612 2HD1 LEU 82 HD11 LEU 82 13.134 2.458 6.185 613 3HD1 LEU 82 HD13 LEU 82 11.552 3.194 6.443 614 1HD2 LEU 82 HD22 LEU 82 14.632 2.740 8.155 615 2HD2 LEU 82 HD21 LEU 82 13.872 3.649 9.461 616 3HD2 LEU 82 HD23 LEU 82 12.987 2.352 8.656 617 HA PRO 83 HA PRO 83 18.563 7.364 8.558 618 1HB PRO 83 HB2 PRO 83 20.216 5.223 8.002 619 2HB PRO 83 HB1 PRO 83 19.610 5.624 9.618 620 1HG PRO 83 HG2 PRO 83 18.702 3.476 7.743 621 2HG PRO 83 HG1 PRO 83 18.696 3.496 9.516 622 1HD PRO 83 HD2 PRO 83 16.449 3.911 7.937 623 2HD PRO 83 HD1 PRO 83 16.599 4.450 9.617 624 H GLY 84 HN GLY 84 18.442 8.647 6.773 625 1HA GLY 84 HA2 GLY 84 19.372 9.334 4.687 626 2HA GLY 84 HA1 GLY 84 19.657 7.644 4.274 627 H CYS 85 HN CYS 85 16.466 8.229 5.474 628 HA CYS 85 HA CYS 85 15.358 8.703 2.756 629 1HB CYS 85 HB2 CYS 85 14.173 6.494 4.423 630 2HB CYS 85 HB1 CYS 85 13.998 6.789 2.700 631 HA PRO 86 HA PRO 86 13.076 11.033 6.025 632 1HB PRO 86 HB2 PRO 86 12.571 13.247 4.451 633 2HB PRO 86 HB1 PRO 86 14.018 13.049 5.433 634 1HG PRO 86 HG2 PRO 86 13.704 12.806 2.486 635 2HG PRO 86 HG1 PRO 86 15.147 13.224 3.425 636 1HD PRO 86 HD2 PRO 86 14.619 10.722 2.250 637 2HD PRO 86 HD1 PRO 86 15.857 11.041 3.483 638 H ARG 87 HN ARG 87 10.782 11.726 6.103 639 HA ARG 87 HA ARG 87 8.879 10.133 4.817 640 1HB ARG 87 HB2 ARG 87 8.575 13.016 5.715 641 2HB ARG 87 HB1 ARG 87 7.256 11.893 5.420 642 1HG ARG 87 HG2 ARG 87 9.382 11.000 7.286 643 2HG ARG 87 HG1 ARG 87 8.306 12.278 7.853 644 1HD ARG 87 HD2 ARG 87 6.417 10.703 6.909 645 2HD ARG 87 HD1 ARG 87 7.644 9.451 7.087 646 HE ARG 87 HE ARG 87 7.333 9.583 9.421 647 1HH1 ARG 87 HH11 ARG 87 7.847 11.674 10.829 648 2HH1 ARG 87 HH12 ARG 87 6.459 12.705 10.943 649 1HH2 ARG 87 HH21 ARG 87 4.815 11.231 8.268 650 2HH2 ARG 87 HH22 ARG 87 4.742 12.454 9.492 651 H GLN 88 HN GLN 88 10.474 13.052 3.743 652 HA GLN 88 HA GLN 88 8.744 13.941 1.688 653 1HB GLN 88 HB2 GLN 88 10.753 15.156 2.522 654 2HB GLN 88 HB1 GLN 88 11.774 14.007 1.659 655 1HG GLN 88 HG2 GLN 88 11.064 14.764 -0.452 656 2HG GLN 88 HG1 GLN 88 9.603 15.504 0.199 657 1HE2 GLN 88 HE22 GLN 88 11.411 18.553 -0.100 658 2HE2 GLN 88 HE21 GLN 88 10.167 17.599 -0.750 659 H VAL 89 HN VAL 89 11.649 11.869 1.183 660 HA VAL 89 HA VAL 89 11.171 11.319 -1.552 661 HB VAL 89 HB VAL 89 12.611 9.677 0.542 662 1HG1 VAL 89 HG11 VAL 89 12.882 9.763 -2.477 663 2HG1 VAL 89 HG13 VAL 89 13.932 8.856 -1.389 664 3HG1 VAL 89 HG12 VAL 89 12.230 8.417 -1.542 665 1HG2 VAL 89 HG22 VAL 89 13.319 12.069 -1.100 666 2HG2 VAL 89 HG21 VAL 89 13.573 11.782 0.622 667 3HG2 VAL 89 HG23 VAL 89 14.572 10.946 -0.567 668 H GLN 90 HN GLN 90 10.193 9.602 1.377 669 HA GLN 90 HA GLN 90 9.030 7.324 0.058 670 1HB GLN 90 HB2 GLN 90 9.223 8.368 2.763 671 2HB GLN 90 HB1 GLN 90 7.594 7.769 2.456 672 1HG GLN 90 HG2 GLN 90 8.647 5.817 3.142 673 2HG GLN 90 HG1 GLN 90 8.885 5.719 1.397 674 1HE2 GLN 90 HE22 GLN 90 12.104 6.651 3.785 675 2HE2 GLN 90 HE21 GLN 90 10.534 6.917 4.370 676 H ARG 91 HN ARG 91 7.921 10.576 0.668 677 HA ARG 91 HA ARG 91 5.108 10.006 0.136 678 1HB ARG 91 HB2 ARG 91 6.535 12.141 1.271 679 2HB ARG 91 HB1 ARG 91 5.869 12.799 -0.224 680 1HG ARG 91 HG2 ARG 91 4.223 13.126 1.514 681 2HG ARG 91 HG1 ARG 91 3.630 11.842 0.459 682 1HD ARG 91 HD2 ARG 91 4.639 10.171 2.056 683 2HD ARG 91 HD1 ARG 91 4.987 11.510 3.147 684 HE ARG 91 HE ARG 91 2.226 10.674 2.355 685 1HH1 ARG 91 HH21 ARG 91 1.756 13.217 3.346 686 2HH1 ARG 91 HH22 ARG 91 1.819 13.097 5.072 687 1HH2 ARG 91 HH11 ARG 91 3.501 10.066 5.064 688 2HH2 ARG 91 HH12 ARG 91 2.807 11.313 6.045 689 H ALA 92 HN ALA 92 7.906 11.048 -1.733 690 HA ALA 92 HA ALA 92 6.431 11.863 -4.089 691 1HB ALA 92 HB2 ALA 92 8.786 12.569 -3.547 692 2HB ALA 92 HB1 ALA 92 9.309 10.925 -3.915 693 3HB ALA 92 HB3 ALA 92 8.594 11.928 -5.178 694 H PHE 93 HN PHE 93 8.256 8.912 -3.245 695 HA PHE 93 HA PHE 93 7.461 7.516 -5.674 696 1HB PHE 93 HB2 PHE 93 9.616 7.023 -4.634 697 2HB PHE 93 HB1 PHE 93 8.815 6.533 -3.141 698 HD1 PHE 93 HD2 PHE 93 8.706 5.779 -6.817 699 HD2 PHE 93 HD1 PHE 93 8.400 4.258 -2.813 700 HE1 PHE 93 HE2 PHE 93 8.442 3.482 -7.711 701 HE2 PHE 93 HE1 PHE 93 8.134 1.961 -3.706 702 HZ PHE 93 HZ PHE 93 8.156 1.571 -6.157 703 H ALA 94 HN ALA 94 6.188 7.783 -2.442 704 HA ALA 94 HA ALA 94 4.828 5.426 -2.028 705 1HB ALA 94 HB2 ALA 94 4.282 8.249 -1.264 706 2HB ALA 94 HB1 ALA 94 3.017 7.057 -0.963 707 3HB ALA 94 HB3 ALA 94 4.615 6.846 -0.248 708 HA PRO 95 HA PRO 95 0.872 6.892 -4.328 709 1HB PRO 95 HB2 PRO 95 1.161 8.805 -6.292 710 2HB PRO 95 HB1 PRO 95 0.686 9.138 -4.618 711 1HG PRO 95 HG2 PRO 95 3.328 9.567 -5.946 712 2HG PRO 95 HG1 PRO 95 2.586 10.457 -4.605 713 1HD PRO 95 HD2 PRO 95 4.605 8.551 -4.329 714 2HD PRO 95 HD1 PRO 95 3.536 9.081 -3.019 715 H LYS 96 HN LYS 96 1.391 4.765 -5.092 716 HA LYS 96 HA LYS 96 1.121 4.397 -7.897 717 1HB LYS 96 HB2 LYS 96 3.455 3.099 -8.066 718 2HB LYS 96 HB1 LYS 96 3.319 4.803 -8.473 719 1HG LYS 96 HG2 LYS 96 5.285 4.336 -7.035 720 2HG LYS 96 HG1 LYS 96 4.156 5.433 -6.262 721 1HD LYS 96 HD2 LYS 96 4.651 3.935 -4.532 722 2HD LYS 96 HD1 LYS 96 3.181 3.246 -5.179 723 1HE LYS 96 HE2 LYS 96 4.297 1.477 -6.196 724 2HE LYS 96 HE1 LYS 96 5.798 2.386 -6.347 725 1HZ LYS 96 HZ1 LYS 96 5.839 2.321 -3.823 726 2HZ LYS 96 HZ3 LYS 96 4.658 1.108 -3.938 727 3HZ LYS 96 HZ2 LYS 96 6.188 0.871 -4.639 728 H LEU 97 HN LEU 97 -0.375 3.342 -5.967 729 HA LEU 97 HA LEU 97 0.634 0.712 -5.114 730 1HB LEU 97 HB2 LEU 97 -0.731 1.999 -3.554 731 2HB LEU 97 HB1 LEU 97 -2.071 2.017 -4.698 732 HG LEU 97 HG LEU 97 -1.992 -0.546 -4.608 733 1HD1 LEU 97 HD12 LEU 97 0.154 0.158 -2.724 734 2HD1 LEU 97 HD11 LEU 97 -1.007 -1.009 -2.089 735 3HD1 LEU 97 HD13 LEU 97 -0.142 -1.351 -3.588 736 1HD2 LEU 97 HD21 LEU 97 -2.839 1.291 -2.407 737 2HD2 LEU 97 HD23 LEU 97 -3.823 0.316 -3.500 738 3HD2 LEU 97 HD22 LEU 97 -2.982 -0.450 -2.150 739 H VAL 98 HN VAL 98 -2.638 1.279 -6.418 740 HA VAL 98 HA VAL 98 -2.400 -1.266 -7.874 741 HB VAL 98 HB VAL 98 -4.771 -1.219 -8.043 742 1HG1 VAL 98 HG11 VAL 98 -3.729 -0.165 -5.432 743 2HG1 VAL 98 HG13 VAL 98 -5.433 -0.553 -5.644 744 3HG1 VAL 98 HG12 VAL 98 -4.214 -1.806 -5.849 745 1HG2 VAL 98 HG21 VAL 98 -4.451 1.726 -7.534 746 2HG2 VAL 98 HG23 VAL 98 -5.429 0.912 -8.755 747 3HG2 VAL 98 HG22 VAL 98 -5.958 0.934 -7.072 748 H THR 99 HN THR 99 -1.077 1.274 -8.843 749 HA THR 99 HA THR 99 -2.517 1.707 -11.375 750 HB THR 99 HB THR 99 -1.006 3.525 -11.812 751 HG1 THR 99 HG1 THR 99 0.757 3.879 -10.357 752 1HG2 THR 99 HG22 THR 99 -2.759 3.923 -10.118 753 2HG2 THR 99 HG21 THR 99 -1.617 3.465 -8.853 754 3HG2 THR 99 HG23 THR 99 -1.323 4.905 -9.828 755 H GLU 100 HN GLU 100 -1.057 1.661 -13.467 756 HA GLU 100 HA GLU 100 0.006 -0.974 -13.735 757 1HB GLU 100 HB2 GLU 100 0.015 1.519 -15.381 758 2HB GLU 100 HB1 GLU 100 1.150 0.245 -15.825 759 1HG GLU 100 HG2 GLU 100 -1.310 -1.059 -15.294 760 2HG GLU 100 HG1 GLU 100 -1.711 0.362 -16.259 761 H VAL 101 HN VAL 101 1.537 1.514 -11.927 762 HA VAL 101 HA VAL 101 4.253 0.777 -12.839 763 HB VAL 101 HB VAL 101 3.402 2.787 -10.735 764 1HG1 VAL 101 HG12 VAL 101 5.989 1.947 -11.965 765 2HG1 VAL 101 HG11 VAL 101 5.766 3.664 -11.634 766 3HG1 VAL 101 HG13 VAL 101 5.652 2.491 -10.322 767 1HG2 VAL 101 HG22 VAL 101 3.564 2.905 -13.708 768 2HG2 VAL 101 HG21 VAL 101 2.541 3.821 -12.600 769 3HG2 VAL 101 HG23 VAL 101 4.228 4.281 -12.827 770 H GLU 102 HN GLU 102 2.058 -0.538 -10.660 771 HA GLU 102 HA GLU 102 4.306 -1.657 -9.061 772 1HB GLU 102 HB2 GLU 102 3.374 0.221 -7.784 773 2HB GLU 102 HB1 GLU 102 1.787 -0.525 -7.836 774 1HG GLU 102 HG2 GLU 102 2.714 -1.131 -5.721 775 2HG GLU 102 HG1 GLU 102 2.863 -2.563 -6.734 776 H CYS 103 HN CYS 103 0.827 -2.142 -8.332 777 HA CYS 103 HA CYS 103 0.947 -4.842 -9.618 778 1HB CYS 103 HB2 CYS 103 0.172 -4.429 -6.711 779 2HB CYS 103 HB1 CYS 103 0.226 -5.958 -7.580 780 H ASN 104 HN ASN 104 -0.583 -2.609 -10.535 781 HA ASN 104 HA ASN 104 -3.075 -2.052 -9.616 782 1HB ASN 104 HB2 ASN 104 -3.834 -1.793 -11.958 783 2HB ASN 104 HB1 ASN 104 -2.247 -1.096 -11.682 784 1HD2 ASN 104 HD22 ASN 104 -0.562 -3.553 -13.712 785 2HD2 ASN 104 HD21 ASN 104 -0.324 -2.476 -12.426 786 H LEU 105 HN LEU 105 -2.603 -4.931 -11.750 787 HA LEU 105 HA LEU 105 -4.100 -6.737 -12.108 788 1HB LEU 105 HB2 LEU 105 -4.087 -6.439 -9.091 789 2HB LEU 105 HB1 LEU 105 -4.737 -7.845 -9.933 790 HG LEU 105 HG LEU 105 -2.020 -7.054 -10.792 791 1HD1 LEU 105 HD12 LEU 105 -2.675 -7.604 -7.944 792 2HD1 LEU 105 HD11 LEU 105 -1.286 -8.463 -8.608 793 3HD1 LEU 105 HD13 LEU 105 -1.328 -6.700 -8.635 794 1HD2 LEU 105 HD23 LEU 105 -3.438 -9.612 -10.006 795 2HD2 LEU 105 HD22 LEU 105 -2.946 -9.103 -11.621 796 3HD2 LEU 105 HD21 LEU 105 -1.728 -9.567 -10.434 797 H ALA 106 HN ALA 106 -5.417 -3.991 -12.075 798 HA ALA 106 HA ALA 106 -7.565 -3.103 -12.243 799 1HB ALA 106 HB2 ALA 106 -7.831 -5.570 -13.248 800 2HB ALA 106 HB1 ALA 106 -8.826 -5.784 -11.808 801 3HB ALA 106 HB3 ALA 106 -9.230 -4.530 -12.982 802 H THR 107 HN THR 107 -9.351 -2.502 -10.890 803 HA THR 107 HA THR 107 -9.152 -3.443 -8.042 804 HB THR 107 HB THR 107 -9.312 -1.210 -7.255 805 HG1 THR 107 HG1 THR 107 -10.200 -0.523 -9.865 806 1HG2 THR 107 HG21 THR 107 -7.185 -1.674 -8.593 807 2HG2 THR 107 HG23 THR 107 -7.911 -0.696 -9.870 808 3HG2 THR 107 HG22 THR 107 -7.583 0.018 -8.292 809 H ILE 108 HN ILE 108 -11.418 -1.945 -7.142 810 HA ILE 108 HA ILE 108 -13.607 -3.629 -7.988 811 HB ILE 108 HB ILE 108 -13.521 -2.604 -5.727 812 1HG1 ILE 108 HG12 ILE 108 -15.875 -1.515 -5.824 813 2HG1 ILE 108 HG11 ILE 108 -15.831 -1.911 -7.541 814 1HG2 ILE 108 HG22 ILE 108 -12.481 -0.448 -6.435 815 2HG2 ILE 108 HG21 ILE 108 -14.016 0.019 -7.164 816 3HG2 ILE 108 HG23 ILE 108 -13.902 -0.215 -5.421 817 1HD1 ILE 108 HD12 ILE 108 -15.069 -4.289 -6.595 818 2HD1 ILE 108 HD11 ILE 108 -15.955 -3.730 -5.178 819 3HD1 ILE 108 HD13 ILE 108 -16.774 -3.858 -6.734 820 H HIS 109 HN HIS 109 -12.430 -0.435 -8.828 821 HA HIS 109 HA HIS 109 -14.648 0.443 -10.436 822 1HB HIS 109 HB2 HIS 109 -11.738 1.274 -10.512 823 2HB HIS 109 HB1 HIS 109 -13.097 2.173 -11.178 824 HD1 HIS 109 HD1 HIS 109 -14.597 3.467 -9.533 825 HD2 HIS 109 HD2 HIS 109 -11.580 1.278 -7.668 826 HE1 HIS 109 HE1 HIS 109 -14.529 4.250 -7.125 827 H GLY 110 HN GLY 110 -12.554 -2.125 -11.090 828 1HA GLY 110 HA2 GLY 110 -11.979 -3.274 -13.038 829 2HA GLY 110 HA1 GLY 110 -13.403 -2.516 -13.751 830 H GLY 111 HN GLY 111 -10.423 -0.995 -12.521 831 1HA GLY 111 HA2 GLY 111 -9.257 -0.475 -15.106 832 2HA GLY 111 HA1 GLY 111 -10.152 0.937 -14.545 833 HA PRO 112 HA PRO 112 -5.891 0.718 -12.521 834 1HB PRO 112 HB2 PRO 112 -4.619 2.663 -14.028 835 2HB PRO 112 HB1 PRO 112 -4.528 0.928 -14.370 836 1HG PRO 112 HG2 PRO 112 -6.039 3.061 -15.789 837 2HG PRO 112 HG1 PRO 112 -5.483 1.492 -16.394 838 1HD PRO 112 HD2 PRO 112 -8.134 2.144 -15.614 839 2HD PRO 112 HD1 PRO 112 -7.506 0.519 -15.956 840 H PHE 113 HN PHE 113 -7.487 1.754 -10.949 841 HA PHE 113 HA PHE 113 -6.558 4.177 -9.914 842 1HB PHE 113 HB2 PHE 113 -8.487 5.724 -10.423 843 2HB PHE 113 HB1 PHE 113 -7.432 5.400 -11.791 844 HD1 PHE 113 HD2 PHE 113 -10.762 4.798 -10.316 845 HD2 PHE 113 HD1 PHE 113 -8.194 4.041 -13.675 846 HE1 PHE 113 HE2 PHE 113 -12.716 4.049 -11.647 847 HE2 PHE 113 HE1 PHE 113 -10.146 3.292 -15.004 848 HZ PHE 113 HZ PHE 113 -12.412 3.299 -13.999 849 H CYS 114 HN CYS 114 -7.696 4.769 -7.926 850 HA CYS 114 HA CYS 114 -10.129 3.213 -7.266 851 1HB CYS 114 HB2 CYS 114 -9.114 2.440 -5.119 852 2HB CYS 114 HB1 CYS 114 -8.362 1.727 -6.542 853 H LEU 115 HN LEU 115 -11.169 5.344 -7.242 854 HA LEU 115 HA LEU 115 -10.875 6.733 -4.665 855 1HB LEU 115 HB2 LEU 115 -10.743 8.980 -5.853 856 2HB LEU 115 HB1 LEU 115 -9.273 8.010 -5.906 857 HG LEU 115 HG LEU 115 -11.022 7.353 -8.142 858 1HD1 LEU 115 HD12 LEU 115 -10.579 10.219 -7.506 859 2HD1 LEU 115 HD11 LEU 115 -10.263 9.740 -9.174 860 3HD1 LEU 115 HD13 LEU 115 -11.851 9.459 -8.461 861 1HD2 LEU 115 HD21 LEU 115 -8.454 7.055 -7.735 862 2HD2 LEU 115 HD23 LEU 115 -9.012 7.467 -9.357 863 3HD2 LEU 115 HD22 LEU 115 -8.340 8.719 -8.311 864 H SER 116 HN SER 116 -12.519 8.827 -4.945 865 HA SER 116 HA SER 116 -15.140 7.768 -5.009 866 1HB SER 116 HB2 SER 116 -14.222 10.620 -5.475 867 2HB SER 116 HB1 SER 116 -15.890 10.146 -5.166 868 HG SER 116 HG SER 116 -15.384 10.168 -3.137 869 H LEU 117 HN LEU 117 -13.547 9.780 -7.487 870 HA LEU 117 HA LEU 117 -13.652 9.687 -9.824 871 1HB LEU 117 HB2 LEU 117 -14.619 7.136 -9.130 872 2HB LEU 117 HB1 LEU 117 -15.823 7.798 -10.234 873 HG LEU 117 HG LEU 117 -13.536 8.525 -11.514 874 1HD1 LEU 117 HD11 LEU 117 -12.352 7.156 -9.616 875 2HD1 LEU 117 HD13 LEU 117 -12.878 5.753 -10.546 876 3HD1 LEU 117 HD12 LEU 117 -11.817 6.953 -11.283 877 1HD2 LEU 117 HD22 LEU 117 -15.654 6.707 -11.902 878 2HD2 LEU 117 HD21 LEU 117 -14.496 7.247 -13.115 879 3HD2 LEU 117 HD23 LEU 117 -14.192 5.770 -12.202 880 H LEU 118 HN LEU 118 -17.013 8.948 -8.814 881 HA LEU 118 HA LEU 118 -18.962 10.193 -8.943 882 1HB LEU 118 HB2 LEU 118 -16.988 12.426 -9.292 883 2HB LEU 118 HB1 LEU 118 -18.686 12.691 -9.623 884 HG LEU 118 HG LEU 118 -18.858 11.369 -7.254 885 1HD1 LEU 118 HD13 LEU 118 -16.232 12.877 -7.277 886 2HD1 LEU 118 HD12 LEU 118 -17.085 12.454 -5.792 887 3HD1 LEU 118 HD11 LEU 118 -16.495 11.183 -6.862 888 1HD2 LEU 118 HD22 LEU 118 -18.668 14.261 -8.011 889 2HD2 LEU 118 HD21 LEU 118 -20.040 13.362 -7.361 890 3HD2 LEU 118 HD23 LEU 118 -18.722 13.854 -6.296 891 H GLY 119 HN GLY 119 -16.872 9.950 -11.703 892 1HA GLY 119 HA2 GLY 119 -19.033 10.802 -13.540 893 2HA GLY 119 HA1 GLY 119 -17.357 10.501 -14.002 894 H ALA 120 HN ALA 120 -19.146 8.320 -11.919 895 HA ALA 120 HA ALA 120 -18.978 6.229 -14.038 896 1HB ALA 120 HB1 ALA 120 -18.398 6.270 -11.214 897 2HB ALA 120 HB3 ALA 120 -19.641 5.063 -11.539 898 3HB ALA 120 HB2 ALA 120 -18.096 4.987 -12.384 899 H GLY 121 HN GLY 121 -21.017 7.990 -14.379 900 1HA GLY 121 HA2 GLY 121 -23.494 6.958 -13.159 901 2HA GLY 121 HA1 GLY 121 -23.379 8.304 -14.290 902 H GLU 122 HN GLU 122 -21.620 5.599 -15.407 903 HA GLU 122 HA GLU 122 -21.976 4.125 -17.177 904 1HB GLU 122 HB2 GLU 122 -24.798 4.167 -16.050 905 2HB GLU 122 HB1 GLU 122 -24.185 2.981 -17.201 906 1HG GLU 122 HG2 GLU 122 -22.678 2.060 -15.631 907 2HG GLU 122 HG1 GLU 122 -22.794 3.463 -14.568 No H/Q in entry = 907 Start of MODEL 12 Raw file had 930 H/Q atoms Start of MODEL 12 1 1H SER 1 HT3 SER 1 -25.575 -2.766 -0.460 2 2H SER 1 HT2 SER 1 -25.898 -3.699 -1.843 3 3H SER 1 HT1 SER 1 -26.769 -2.269 -1.557 4 HA SER 1 HA SER 1 -28.062 -3.185 0.080 5 1HB SER 1 HB2 SER 1 -28.782 -5.407 -0.739 6 2HB SER 1 HB1 SER 1 -28.552 -4.280 -2.073 7 HG SER 1 HG SER 1 -27.089 -5.583 -2.808 8 H VAL 2 HN VAL 2 -25.192 -5.219 -0.458 9 HA VAL 2 HA VAL 2 -25.311 -6.004 2.423 10 HB VAL 2 HB VAL 2 -23.979 -8.073 1.604 11 1HG1 VAL 2 HG11 VAL 2 -26.896 -7.508 1.145 12 2HG1 VAL 2 HG13 VAL 2 -26.229 -9.089 0.738 13 3HG1 VAL 2 HG12 VAL 2 -26.139 -8.494 2.396 14 1HG2 VAL 2 HG23 VAL 2 -23.699 -6.968 -0.732 15 2HG2 VAL 2 HG22 VAL 2 -24.127 -8.677 -0.683 16 3HG2 VAL 2 HG21 VAL 2 -25.367 -7.468 -1.013 17 H GLY 3 HN GLY 3 -22.440 -7.062 0.817 18 1HA GLY 3 HA2 GLY 3 -20.325 -5.957 0.547 19 2HA GLY 3 HA1 GLY 3 -20.961 -4.573 1.436 20 H THR 4 HN THR 4 -21.100 -4.701 3.736 21 HA THR 4 HA THR 4 -20.039 -5.088 5.796 22 HB THR 4 HB THR 4 -21.940 -6.663 5.794 23 HG1 THR 4 HG1 THR 4 -20.686 -6.679 7.617 24 1HG2 THR 4 HG21 THR 4 -19.905 -8.479 4.505 25 2HG2 THR 4 HG23 THR 4 -21.300 -9.122 5.371 26 3HG2 THR 4 HG22 THR 4 -21.537 -8.097 3.955 27 H SER 5 HN SER 5 -18.042 -4.867 3.917 28 HA SER 5 HA SER 5 -16.101 -6.998 4.727 29 1HB SER 5 HB2 SER 5 -15.019 -6.806 2.591 30 2HB SER 5 HB1 SER 5 -16.741 -6.954 2.264 31 HG SER 5 HG SER 5 -16.829 -4.864 1.715 32 H CYS 6 HN CYS 6 -13.809 -5.619 3.706 33 HA CYS 6 HA CYS 6 -12.209 -4.043 4.374 34 1HB CYS 6 HB2 CYS 6 -14.654 -2.337 4.931 35 2HB CYS 6 HB1 CYS 6 -13.006 -1.749 4.755 36 H ILE 7 HN ILE 7 -12.311 -2.156 6.505 37 HA ILE 7 HA ILE 7 -12.142 -1.984 8.836 38 HB ILE 7 HB ILE 7 -13.714 -4.579 9.012 39 1HG1 ILE 7 HG12 ILE 7 -14.788 -1.741 8.951 40 2HG1 ILE 7 HG11 ILE 7 -14.870 -2.860 7.590 41 1HG2 ILE 7 HG21 ILE 7 -13.383 -2.237 10.904 42 2HG2 ILE 7 HG23 ILE 7 -14.404 -3.647 11.192 43 3HG2 ILE 7 HG22 ILE 7 -12.653 -3.831 11.096 44 1HD1 ILE 7 HD11 ILE 7 -15.875 -3.937 10.157 45 2HD1 ILE 7 HD13 ILE 7 -16.828 -2.620 9.473 46 3HD1 ILE 7 HD12 ILE 7 -16.546 -4.086 8.533 47 HA PRO 8 HA PRO 8 -8.541 -4.541 9.163 48 1HB PRO 8 HB2 PRO 8 -7.783 -3.950 11.747 49 2HB PRO 8 HB1 PRO 8 -7.482 -2.896 10.354 50 1HG PRO 8 HG2 PRO 8 -9.525 -2.621 12.516 51 2HG PRO 8 HG1 PRO 8 -8.733 -1.364 11.552 52 1HD PRO 8 HD2 PRO 8 -11.333 -2.302 11.142 53 2HD PRO 8 HD1 PRO 8 -10.375 -1.405 9.951 54 H GLY 9 HN GLY 9 -7.646 -6.363 10.501 55 1HA GLY 9 HA2 GLY 9 -7.881 -8.421 11.573 56 2HA GLY 9 HA1 GLY 9 -9.104 -7.657 12.584 57 H MET 10 HN MET 10 -9.702 -7.468 9.186 58 HA MET 10 HA MET 10 -11.422 -9.897 9.185 59 1HB MET 10 HB2 MET 10 -12.312 -7.043 8.789 60 2HB MET 10 HB1 MET 10 -13.188 -8.373 8.031 61 1HG MET 10 HG2 MET 10 -12.526 -8.729 10.904 62 2HG MET 10 HG1 MET 10 -13.728 -7.491 10.536 63 1HE MET 10 HE1 MET 10 -15.276 -7.695 8.825 64 2HE MET 10 HE3 MET 10 -16.041 -9.148 8.169 65 3HE MET 10 HE2 MET 10 -16.571 -8.491 9.717 66 H ALA 11 HN ALA 11 -9.706 -10.698 7.620 67 HA ALA 11 HA ALA 11 -9.210 -11.258 5.385 68 1HB ALA 11 HB2 ALA 11 -11.440 -9.896 4.833 69 2HB ALA 11 HB1 ALA 11 -10.278 -8.699 4.259 70 3HB ALA 11 HB3 ALA 11 -10.287 -10.322 3.569 71 H ILE 12 HN ILE 12 -9.027 -7.728 5.914 72 HA ILE 12 HA ILE 12 -6.266 -7.662 4.899 73 HB ILE 12 HB ILE 12 -8.028 -5.402 5.895 74 1HG1 ILE 12 HG12 ILE 12 -7.308 -6.052 3.037 75 2HG1 ILE 12 HG11 ILE 12 -8.751 -6.718 3.797 76 1HG2 ILE 12 HG23 ILE 12 -5.341 -5.330 5.719 77 2HG2 ILE 12 HG22 ILE 12 -5.735 -4.991 4.034 78 3HG2 ILE 12 HG21 ILE 12 -6.348 -3.941 5.310 79 1HD1 ILE 12 HD13 ILE 12 -8.562 -3.864 4.300 80 2HD1 ILE 12 HD12 ILE 12 -8.507 -4.199 2.569 81 3HD1 ILE 12 HD11 ILE 12 -9.862 -4.777 3.537 82 HA PRO 13 HA PRO 13 -5.464 -8.164 9.346 83 1HB PRO 13 HB2 PRO 13 -2.834 -8.930 9.147 84 2HB PRO 13 HB1 PRO 13 -4.213 -10.027 9.007 85 1HG PRO 13 HG2 PRO 13 -2.406 -9.024 6.884 86 2HG PRO 13 HG1 PRO 13 -3.442 -10.460 6.885 87 1HD PRO 13 HD2 PRO 13 -3.943 -7.970 5.599 88 2HD PRO 13 HD1 PRO 13 -5.077 -9.339 5.726 89 H HIS 14 HN HIS 14 -3.809 -7.270 10.880 90 HA HIS 14 HA HIS 14 -3.484 -4.464 10.472 91 1HB HIS 14 HB2 HIS 14 -2.267 -6.304 12.571 92 2HB HIS 14 HB1 HIS 14 -2.427 -4.570 12.685 93 HD1 HIS 14 HD1 HIS 14 -4.556 -3.699 13.744 94 HD2 HIS 14 HD2 HIS 14 -4.942 -7.636 12.436 95 HE1 HIS 14 HE1 HIS 14 -6.837 -4.516 14.552 96 H ASN 15 HN ASN 15 -1.489 -3.298 10.022 97 HA ASN 15 HA ASN 15 0.666 -2.938 9.206 98 1HB ASN 15 HB2 ASN 15 1.043 -4.658 11.236 99 2HB ASN 15 HB1 ASN 15 1.561 -5.700 9.911 100 1HD2 ASN 15 HD22 ASN 15 4.335 -3.365 11.257 101 2HD2 ASN 15 HD21 ASN 15 3.136 -4.209 12.113 102 HA PRO 16 HA PRO 16 -0.402 -5.752 5.564 103 1HB PRO 16 HB2 PRO 16 -1.784 -3.950 4.034 104 2HB PRO 16 HB1 PRO 16 -2.561 -5.021 5.214 105 1HG PRO 16 HG2 PRO 16 -2.005 -2.094 5.414 106 2HG PRO 16 HG1 PRO 16 -3.293 -3.046 6.170 107 1HD PRO 16 HD2 PRO 16 -0.941 -2.154 7.456 108 2HD PRO 16 HD1 PRO 16 -2.063 -3.396 8.046 109 H LEU 17 HN LEU 17 0.282 -5.424 3.294 110 HA LEU 17 HA LEU 17 2.020 -4.910 1.807 111 1HB LEU 17 HB2 LEU 17 0.660 -2.311 2.480 112 2HB LEU 17 HB1 LEU 17 1.953 -2.372 1.280 113 HG LEU 17 HG LEU 17 0.555 -4.416 0.347 114 1HD1 LEU 17 HD11 LEU 17 -1.381 -2.869 2.060 115 2HD1 LEU 17 HD13 LEU 17 -1.934 -3.713 0.614 116 3HD1 LEU 17 HD12 LEU 17 -1.176 -4.615 1.926 117 1HD2 LEU 17 HD21 LEU 17 0.306 -1.477 -0.048 118 2HD2 LEU 17 HD23 LEU 17 0.754 -2.732 -1.202 119 3HD2 LEU 17 HD22 LEU 17 -0.941 -2.477 -0.792 120 H ASP 18 HN ASP 18 3.175 -5.326 4.331 121 HA ASP 18 HA ASP 18 4.933 -3.155 5.118 122 1HB ASP 18 HB2 ASP 18 6.194 -4.968 6.337 123 2HB ASP 18 HB1 ASP 18 4.467 -4.935 6.708 124 H SER 19 HN SER 19 5.159 -5.891 2.951 125 HA SER 19 HA SER 19 7.929 -5.684 2.249 126 1HB SER 19 HB2 SER 19 6.045 -7.499 1.674 127 2HB SER 19 HB1 SER 19 5.928 -6.543 0.200 128 HG SER 19 HG SER 19 7.610 -7.664 -0.380 129 H CYS 20 HN CYS 20 5.077 -3.905 1.324 130 HA CYS 20 HA CYS 20 6.174 -2.712 -1.068 131 1HB CYS 20 HB2 CYS 20 3.887 -1.758 0.664 132 2HB CYS 20 HB1 CYS 20 4.203 -1.297 -1.009 133 H ARG 21 HN ARG 21 5.929 -1.774 2.343 134 HA ARG 21 HA ARG 21 6.924 0.882 2.015 135 1HB ARG 21 HB2 ARG 21 5.976 0.745 4.087 136 2HB ARG 21 HB1 ARG 21 6.403 -0.938 4.314 137 1HG ARG 21 HG2 ARG 21 8.768 -0.213 4.776 138 2HG ARG 21 HG1 ARG 21 8.238 1.464 4.649 139 1HD ARG 21 HD2 ARG 21 7.229 1.425 6.690 140 2HD ARG 21 HD1 ARG 21 6.630 -0.222 6.473 141 HE ARG 21 HE ARG 21 9.480 -0.274 6.793 142 1HH1 ARG 21 HH21 ARG 21 7.910 -2.221 8.243 143 2HH1 ARG 21 HH22 ARG 21 7.932 -1.644 9.877 144 1HH2 ARG 21 HH11 ARG 21 8.936 1.561 9.011 145 2HH2 ARG 21 HH12 ARG 21 8.511 0.499 10.311 146 H TRP 22 HN TRP 22 8.623 -2.194 2.855 147 HA TRP 22 HA TRP 22 11.216 -0.942 2.910 148 1HB TRP 22 HB2 TRP 22 10.396 -3.824 2.782 149 2HB TRP 22 HB1 TRP 22 12.066 -3.352 2.550 150 HD1 TRP 22 HD1 TRP 22 9.907 -4.333 5.215 151 HE1 TRP 22 HE1 TRP 22 10.787 -3.494 7.502 152 HE3 TRP 22 HE3 TRP 22 13.208 -0.986 3.553 153 HZ2 TRP 22 HZ2 TRP 22 12.725 -1.571 8.466 154 HZ3 TRP 22 HZ3 TRP 22 14.605 0.382 5.121 155 HH2 TRP 22 HH2 TRP 22 14.359 0.083 7.577 156 H TYR 23 HN TYR 23 9.229 -2.307 0.386 157 HA TYR 23 HA TYR 23 11.276 -2.589 -1.604 158 1HB TYR 23 HB2 TYR 23 9.047 -3.669 -1.780 159 2HB TYR 23 HB1 TYR 23 8.318 -2.083 -2.054 160 HD1 TYR 23 HD1 TYR 23 11.183 -4.166 -3.306 161 HD2 TYR 23 HD2 TYR 23 8.037 -1.405 -4.271 162 HE1 TYR 23 HE1 TYR 23 11.780 -4.328 -5.706 163 HE2 TYR 23 HE2 TYR 23 8.634 -1.568 -6.673 164 HH TYR 23 HH TYR 23 11.395 -2.568 -7.817 165 H VAL 24 HN VAL 24 9.280 0.159 -0.532 166 HA VAL 24 HA VAL 24 10.137 1.881 -2.729 167 HB VAL 24 HB VAL 24 9.105 2.692 0.004 168 1HG1 VAL 24 HG12 VAL 24 9.670 4.225 -2.539 169 2HG1 VAL 24 HG11 VAL 24 8.579 4.843 -1.298 170 3HG1 VAL 24 HG13 VAL 24 10.277 4.549 -0.916 171 1HG2 VAL 24 HG22 VAL 24 7.756 2.188 -2.653 172 2HG2 VAL 24 HG21 VAL 24 7.347 1.499 -1.082 173 3HG2 VAL 24 HG23 VAL 24 7.015 3.200 -1.413 174 H SER 25 HN SER 25 11.219 1.184 0.588 175 HA SER 25 HA SER 25 13.213 3.181 0.820 176 1HB SER 25 HB2 SER 25 13.735 0.401 1.823 177 2HB SER 25 HB1 SER 25 14.118 1.943 2.579 178 HG SER 25 HG SER 25 12.334 1.069 3.609 179 H THR 26 HN THR 26 13.289 0.037 -0.809 180 HA THR 26 HA THR 26 16.120 0.150 -1.474 181 HB THR 26 HB THR 26 13.925 -1.628 -2.578 182 HG1 THR 26 HG1 THR 26 14.517 -3.005 -0.980 183 1HG2 THR 26 HG23 THR 26 16.945 -1.793 -2.701 184 2HG2 THR 26 HG22 THR 26 15.883 -3.158 -3.049 185 3HG2 THR 26 HG21 THR 26 15.821 -1.712 -4.058 186 H ARG 27 HN ARG 27 13.164 0.534 -3.478 187 HA ARG 27 HA ARG 27 14.535 1.074 -5.926 188 1HB ARG 27 HB2 ARG 27 11.751 1.512 -4.917 189 2HB ARG 27 HB1 ARG 27 12.244 2.333 -6.397 190 1HG ARG 27 HG2 ARG 27 12.485 -0.649 -5.916 191 2HG ARG 27 HG1 ARG 27 11.193 0.120 -6.837 192 1HD ARG 27 HD2 ARG 27 13.788 1.039 -7.765 193 2HD ARG 27 HD1 ARG 27 13.689 -0.721 -7.827 194 HE ARG 27 HE ARG 27 11.678 -0.466 -9.255 195 1HH1 ARG 27 HH21 ARG 27 11.315 2.486 -8.389 196 2HH1 ARG 27 HH22 ARG 27 11.753 3.294 -9.858 197 1HH2 ARG 27 HH11 ARG 27 13.242 0.494 -11.264 198 2HH2 ARG 27 HH12 ARG 27 12.846 2.165 -11.486 199 H THR 28 HN THR 28 13.768 3.082 -3.198 200 HA THR 28 HA THR 28 14.278 5.569 -4.678 201 HB THR 28 HB THR 28 13.501 6.680 -2.630 202 HG1 THR 28 HG1 THR 28 12.819 5.307 -0.900 203 1HG2 THR 28 HG21 THR 28 11.856 4.296 -3.483 204 2HG2 THR 28 HG23 THR 28 11.236 5.632 -2.512 205 3HG2 THR 28 HG22 THR 28 11.796 5.924 -4.160 206 H CYS 29 HN CYS 29 15.563 4.280 -1.537 207 HA CYS 29 HA CYS 29 18.022 5.870 -2.023 208 1HB CYS 29 HB2 CYS 29 17.445 4.374 0.516 209 2HB CYS 29 HB1 CYS 29 18.421 5.821 0.287 210 H GLY 30 HN GLY 30 17.156 2.911 -2.905 211 1HA GLY 30 HA2 GLY 30 18.311 0.892 -3.343 212 2HA GLY 30 HA1 GLY 30 19.784 1.852 -3.215 213 H VAL 31 HN VAL 31 17.483 1.628 -0.575 214 HA VAL 31 HA VAL 31 19.446 -0.016 0.982 215 HB VAL 31 HB VAL 31 17.592 2.144 2.032 216 1HG1 VAL 31 HG13 VAL 31 19.740 0.419 3.278 217 2HG1 VAL 31 HG12 VAL 31 19.192 1.921 4.021 218 3HG1 VAL 31 HG11 VAL 31 18.058 0.591 3.779 219 1HG2 VAL 31 HG23 VAL 31 20.359 2.193 0.942 220 2HG2 VAL 31 HG22 VAL 31 19.148 3.475 0.997 221 3HG2 VAL 31 HG21 VAL 31 20.097 3.095 2.435 222 H GLY 32 HN GLY 32 18.387 -1.258 2.808 223 1HA GLY 32 HA2 GLY 32 15.978 -1.881 3.602 224 2HA GLY 32 HA1 GLY 32 15.777 -2.312 1.902 225 HA PRO 33 HA PRO 33 17.728 -5.919 4.370 226 1HB PRO 33 HB2 PRO 33 15.739 -7.803 3.880 227 2HB PRO 33 HB1 PRO 33 15.837 -6.801 5.339 228 1HG PRO 33 HG2 PRO 33 14.083 -6.477 2.932 229 2HG PRO 33 HG1 PRO 33 13.736 -6.130 4.636 230 1HD PRO 33 HD2 PRO 33 14.329 -4.191 2.799 231 2HD PRO 33 HD1 PRO 33 14.654 -4.027 4.540 232 H ARG 34 HN ARG 34 18.169 -8.242 3.225 233 HA ARG 34 HA ARG 34 18.934 -7.586 0.461 234 1HB ARG 34 HB2 ARG 34 20.241 -8.893 2.497 235 2HB ARG 34 HB1 ARG 34 19.661 -10.241 1.521 236 1HG ARG 34 HG2 ARG 34 21.388 -9.881 0.115 237 2HG ARG 34 HG1 ARG 34 20.626 -8.358 -0.342 238 1HD ARG 34 HD2 ARG 34 22.920 -7.942 0.405 239 2HD ARG 34 HD1 ARG 34 21.783 -7.239 1.557 240 HE ARG 34 HE ARG 34 22.182 -9.335 2.948 241 1HH1 ARG 34 HH11 ARG 34 23.859 -10.796 0.961 242 2HH1 ARG 34 HH12 ARG 34 25.466 -10.449 1.505 243 1HH2 ARG 34 HH21 ARG 34 24.497 -7.779 3.496 244 2HH2 ARG 34 HH22 ARG 34 25.827 -8.741 2.941 245 H LEU 35 HN LEU 35 16.929 -7.717 -0.527 246 HA LEU 35 HA LEU 35 16.066 -10.468 -1.233 247 1HB LEU 35 HB2 LEU 35 14.436 -8.405 0.148 248 2HB LEU 35 HB1 LEU 35 13.661 -9.180 -1.235 249 HG LEU 35 HG LEU 35 15.027 -10.755 0.954 250 1HD1 LEU 35 HD11 LEU 35 12.304 -9.539 0.819 251 2HD1 LEU 35 HD13 LEU 35 12.430 -11.179 1.457 252 3HD1 LEU 35 HD12 LEU 35 13.320 -9.864 2.224 253 1HD2 LEU 35 HD23 LEU 35 14.404 -11.607 -1.475 254 2HD2 LEU 35 HD22 LEU 35 14.092 -12.626 -0.070 255 3HD2 LEU 35 HD21 LEU 35 12.780 -11.698 -0.796 256 H ALA 36 HN ALA 36 15.972 -10.603 -3.436 257 HA ALA 36 HA ALA 36 16.724 -8.559 -5.188 258 1HB ALA 36 HB3 ALA 36 15.348 -11.167 -5.485 259 2HB ALA 36 HB2 ALA 36 15.148 -10.044 -6.830 260 3HB ALA 36 HB1 ALA 36 16.765 -10.538 -6.327 261 H THR 37 HN THR 37 15.479 -7.158 -6.647 262 HA THR 37 HA THR 37 13.277 -5.816 -5.454 263 HB THR 37 HB THR 37 12.961 -5.001 -7.946 264 HG1 THR 37 HG1 THR 37 14.369 -5.739 -9.301 265 1HG2 THR 37 HG21 THR 37 15.309 -4.485 -6.123 266 2HG2 THR 37 HG23 THR 37 15.085 -3.580 -7.619 267 3HG2 THR 37 HG22 THR 37 13.862 -3.503 -6.352 268 H GLN 38 HN GLN 38 13.181 -7.880 -8.391 269 HA GLN 38 HA GLN 38 10.398 -7.927 -8.708 270 1HB GLN 38 HB2 GLN 38 12.553 -9.913 -9.387 271 2HB GLN 38 HB1 GLN 38 10.861 -10.289 -9.717 272 1HG GLN 38 HG2 GLN 38 10.629 -8.292 -11.085 273 2HG GLN 38 HG1 GLN 38 12.264 -7.774 -10.667 274 1HE2 GLN 38 HE22 GLN 38 13.776 -9.756 -13.155 275 2HE2 GLN 38 HE21 GLN 38 13.956 -8.547 -11.976 276 H GLU 39 HN GLU 39 12.304 -9.728 -6.371 277 HA GLU 39 HA GLU 39 10.231 -11.633 -5.676 278 1HB GLU 39 HB2 GLU 39 12.792 -10.729 -4.371 279 2HB GLU 39 HB1 GLU 39 11.672 -11.785 -3.511 280 1HG GLU 39 HG2 GLU 39 11.838 -13.484 -5.191 281 2HG GLU 39 HG1 GLU 39 12.682 -12.400 -6.296 282 H MET 40 HN MET 40 11.372 -8.591 -4.228 283 HA MET 40 HA MET 40 9.550 -8.485 -2.031 284 1HB MET 40 HB2 MET 40 11.634 -7.001 -2.677 285 2HB MET 40 HB1 MET 40 10.430 -6.014 -3.488 286 1HG MET 40 HG2 MET 40 10.416 -5.045 -1.376 287 2HG MET 40 HG1 MET 40 9.130 -6.243 -1.202 288 1HE MET 40 HE2 MET 40 9.520 -5.454 1.002 289 2HE MET 40 HE1 MET 40 9.628 -7.000 1.839 290 3HE MET 40 HE3 MET 40 10.885 -5.776 2.065 291 H LYS 41 HN LYS 41 9.447 -6.870 -5.191 292 HA LYS 41 HA LYS 41 6.888 -5.708 -5.062 293 1HB LYS 41 HB2 LYS 41 8.564 -5.334 -6.891 294 2HB LYS 41 HB1 LYS 41 8.153 -6.922 -7.536 295 1HG LYS 41 HG2 LYS 41 5.771 -6.183 -7.722 296 2HG LYS 41 HG1 LYS 41 6.264 -4.573 -7.198 297 1HD LYS 41 HD2 LYS 41 7.420 -5.988 -9.616 298 2HD LYS 41 HD1 LYS 41 6.103 -4.818 -9.698 299 1HE LYS 41 HE2 LYS 41 7.718 -3.259 -8.375 300 2HE LYS 41 HE1 LYS 41 8.976 -4.369 -8.916 301 1HZ LYS 41 HZ3 LYS 41 7.033 -3.160 -10.791 302 2HZ LYS 41 HZ2 LYS 41 8.493 -2.391 -10.388 303 3HZ LYS 41 HZ1 LYS 41 8.512 -3.910 -11.150 304 H ALA 42 HN ALA 42 7.857 -9.005 -5.864 305 HA ALA 42 HA ALA 42 5.342 -9.991 -6.800 306 1HB ALA 42 HB2 ALA 42 7.610 -11.157 -6.928 307 2HB ALA 42 HB1 ALA 42 7.381 -11.586 -5.233 308 3HB ALA 42 HB3 ALA 42 6.253 -12.180 -6.452 309 H ARG 43 HN ARG 43 6.802 -9.821 -3.571 310 HA ARG 43 HA ARG 43 4.750 -11.147 -2.112 311 1HB ARG 43 HB2 ARG 43 7.175 -10.067 -1.464 312 2HB ARG 43 HB1 ARG 43 6.081 -8.886 -0.745 313 1HG ARG 43 HG2 ARG 43 5.611 -11.827 -0.317 314 2HG ARG 43 HG1 ARG 43 6.794 -10.968 0.669 315 1HD ARG 43 HD2 ARG 43 5.138 -9.454 1.503 316 2HD ARG 43 HD1 ARG 43 3.952 -9.991 0.312 317 HE ARG 43 HE ARG 43 3.877 -12.169 1.537 318 1HH1 ARG 43 HH11 ARG 43 6.456 -11.043 3.060 319 2HH1 ARG 43 HH12 ARG 43 5.782 -10.929 4.651 320 1HH2 ARG 43 HH21 ARG 43 2.509 -11.333 3.582 321 2HH2 ARG 43 HH22 ARG 43 3.548 -11.093 4.946 322 H CYS 44 HN CYS 44 5.165 -7.720 -3.011 323 HA CYS 44 HA CYS 44 2.914 -6.706 -1.550 324 1HB CYS 44 HB2 CYS 44 4.416 -5.701 -3.943 325 2HB CYS 44 HB1 CYS 44 2.950 -4.901 -3.370 326 H CYS 45 HN CYS 45 3.249 -8.168 -4.769 327 HA CYS 45 HA CYS 45 0.584 -7.449 -5.663 328 1HB CYS 45 HB2 CYS 45 2.675 -9.377 -6.656 329 2HB CYS 45 HB1 CYS 45 1.051 -9.392 -7.333 330 H ARG 46 HN ARG 46 1.990 -10.121 -3.870 331 HA ARG 46 HA ARG 46 -0.318 -11.881 -4.090 332 1HB ARG 46 HB2 ARG 46 2.163 -12.406 -3.429 333 2HB ARG 46 HB1 ARG 46 1.649 -11.976 -1.813 334 1HG ARG 46 HG2 ARG 46 -0.263 -13.759 -3.123 335 2HG ARG 46 HG1 ARG 46 1.338 -14.478 -2.988 336 1HD ARG 46 HD2 ARG 46 1.111 -14.768 -0.764 337 2HD ARG 46 HD1 ARG 46 0.592 -13.099 -0.533 338 HE ARG 46 HE ARG 46 -1.719 -13.862 -1.093 339 1HH1 ARG 46 HH11 ARG 46 -0.894 -16.518 -2.288 340 2HH1 ARG 46 HH12 ARG 46 -1.306 -17.615 -1.012 341 1HH2 ARG 46 HH21 ARG 46 -1.564 -15.137 1.398 342 2HH2 ARG 46 HH22 ARG 46 -1.685 -16.834 1.072 343 H GLN 47 HN GLN 47 0.769 -9.326 -1.919 344 HA GLN 47 HA GLN 47 -1.286 -9.818 0.108 345 1HB GLN 47 HB2 GLN 47 0.382 -7.328 -0.368 346 2HB GLN 47 HB1 GLN 47 -0.496 -7.733 1.105 347 1HG GLN 47 HG2 GLN 47 1.162 -9.971 0.489 348 2HG GLN 47 HG1 GLN 47 2.161 -8.528 0.325 349 1HE2 GLN 47 HE22 GLN 47 2.561 -8.381 3.813 350 2HE2 GLN 47 HE21 GLN 47 3.257 -8.238 2.272 351 H LEU 48 HN LEU 48 -0.943 -7.780 -2.738 352 HA LEU 48 HA LEU 48 -3.296 -6.160 -2.277 353 1HB LEU 48 HB2 LEU 48 -1.252 -5.674 -3.816 354 2HB LEU 48 HB1 LEU 48 -2.085 -6.697 -4.986 355 HG LEU 48 HG LEU 48 -4.090 -4.985 -4.033 356 1HD1 LEU 48 HD12 LEU 48 -1.479 -3.500 -4.431 357 2HD1 LEU 48 HD11 LEU 48 -3.064 -2.725 -4.461 358 3HD1 LEU 48 HD13 LEU 48 -2.493 -3.507 -2.987 359 1HD2 LEU 48 HD23 LEU 48 -2.589 -5.466 -6.512 360 2HD2 LEU 48 HD22 LEU 48 -4.316 -5.220 -6.279 361 3HD2 LEU 48 HD21 LEU 48 -3.237 -3.830 -6.404 362 H GLU 49 HN GLU 49 -2.597 -9.193 -3.929 363 HA GLU 49 HA GLU 49 -5.199 -9.395 -5.210 364 1HB GLU 49 HB2 GLU 49 -2.723 -10.832 -5.272 365 2HB GLU 49 HB1 GLU 49 -3.984 -11.983 -4.837 366 1HG GLU 49 HG2 GLU 49 -4.354 -10.055 -7.129 367 2HG GLU 49 HG1 GLU 49 -3.537 -11.603 -7.354 368 H ALA 50 HN ALA 50 -3.705 -10.636 -2.238 369 HA ALA 50 HA ALA 50 -5.866 -12.287 -1.336 370 1HB ALA 50 HB1 ALA 50 -3.861 -10.675 0.282 371 2HB ALA 50 HB3 ALA 50 -4.891 -11.951 0.930 372 3HB ALA 50 HB2 ALA 50 -3.649 -12.340 -0.260 373 H ILE 51 HN ILE 51 -5.135 -8.873 -1.036 374 HA ILE 51 HA ILE 51 -7.566 -8.216 0.474 375 HB ILE 51 HB ILE 51 -5.538 -6.411 -0.886 376 1HG1 ILE 51 HG12 ILE 51 -5.775 -7.062 2.058 377 2HG1 ILE 51 HG11 ILE 51 -4.714 -7.965 0.980 378 1HG2 ILE 51 HG22 ILE 51 -7.748 -5.891 1.121 379 2HG2 ILE 51 HG21 ILE 51 -6.481 -4.725 0.737 380 3HG2 ILE 51 HG23 ILE 51 -7.620 -5.236 -0.509 381 1HD1 ILE 51 HD12 ILE 51 -4.552 -4.979 0.937 382 2HD1 ILE 51 HD11 ILE 51 -3.827 -5.832 2.300 383 3HD1 ILE 51 HD13 ILE 51 -3.285 -6.174 0.657 384 HA PRO 52 HA PRO 52 -9.602 -8.446 -3.586 385 1HB PRO 52 HB2 PRO 52 -12.138 -7.837 -2.654 386 2HB PRO 52 HB1 PRO 52 -11.434 -9.464 -2.691 387 1HG PRO 52 HG2 PRO 52 -11.699 -7.574 -0.369 388 2HG PRO 52 HG1 PRO 52 -11.827 -9.343 -0.395 389 1HD PRO 52 HD2 PRO 52 -9.574 -8.036 0.489 390 2HD PRO 52 HD1 PRO 52 -9.520 -9.647 -0.263 391 H ALA 53 HN ALA 53 -9.999 -6.900 -5.075 392 HA ALA 53 HA ALA 53 -9.087 -4.341 -5.006 393 1HB ALA 53 HB1 ALA 53 -10.251 -5.757 -6.903 394 2HB ALA 53 HB3 ALA 53 -11.637 -4.745 -6.500 395 3HB ALA 53 HB2 ALA 53 -10.127 -4.003 -7.028 396 H TYR 54 HN TYR 54 -12.219 -5.328 -3.718 397 HA TYR 54 HA TYR 54 -13.552 -2.864 -3.558 398 1HB TYR 54 HB2 TYR 54 -13.832 -5.467 -2.398 399 2HB TYR 54 HB1 TYR 54 -14.039 -4.278 -1.112 400 HD1 TYR 54 HD2 TYR 54 -15.063 -4.893 -4.668 401 HD2 TYR 54 HD1 TYR 54 -16.126 -3.272 -0.836 402 HE1 TYR 54 HE2 TYR 54 -17.325 -4.353 -5.525 403 HE2 TYR 54 HE1 TYR 54 -18.387 -2.729 -1.693 404 HH TYR 54 HH TYR 54 -19.821 -3.979 -4.007 405 H CYS 55 HN CYS 55 -11.890 -4.267 -0.709 406 HA CYS 55 HA CYS 55 -11.526 -1.553 0.410 407 1HB CYS 55 HB2 CYS 55 -10.522 -4.119 1.643 408 2HB CYS 55 HB1 CYS 55 -10.990 -2.620 2.444 409 H ARG 56 HN ARG 56 -9.789 -3.108 -1.894 410 HA ARG 56 HA ARG 56 -7.133 -3.385 -1.095 411 1HB ARG 56 HB2 ARG 56 -8.516 -2.845 -3.606 412 2HB ARG 56 HB1 ARG 56 -6.938 -2.061 -3.566 413 1HG ARG 56 HG2 ARG 56 -5.921 -4.238 -2.878 414 2HG ARG 56 HG1 ARG 56 -7.502 -4.994 -3.068 415 1HD ARG 56 HD2 ARG 56 -7.237 -3.684 -5.459 416 2HD ARG 56 HD1 ARG 56 -5.570 -4.141 -5.129 417 HE ARG 56 HE ARG 56 -6.796 -6.491 -4.652 418 1HH1 ARG 56 HH11 ARG 56 -8.057 -4.293 -6.981 419 2HH1 ARG 56 HH12 ARG 56 -8.175 -5.488 -8.219 420 1HH2 ARG 56 HH21 ARG 56 -6.674 -7.990 -6.375 421 2HH2 ARG 56 HH22 ARG 56 -7.410 -7.560 -7.882 422 H CYS 57 HN CYS 57 -7.783 -0.404 -2.949 423 HA CYS 57 HA CYS 57 -5.790 1.242 -2.146 424 1HB CYS 57 HB2 CYS 57 -8.686 2.123 -2.284 425 2HB CYS 57 HB1 CYS 57 -7.283 3.182 -2.427 426 H GLU 58 HN GLU 58 -8.742 0.938 -0.030 427 HA GLU 58 HA GLU 58 -8.207 2.713 1.990 428 1HB GLU 58 HB2 GLU 58 -9.355 -0.040 1.973 429 2HB GLU 58 HB1 GLU 58 -9.012 0.699 3.537 430 1HG GLU 58 HG2 GLU 58 -10.482 2.269 1.437 431 2HG GLU 58 HG1 GLU 58 -11.352 1.096 2.427 432 H ALA 59 HN ALA 59 -6.824 -0.631 1.995 433 HA ALA 59 HA ALA 59 -5.301 -0.630 4.274 434 1HB ALA 59 HB2 ALA 59 -4.730 -1.732 1.551 435 2HB ALA 59 HB1 ALA 59 -3.536 -1.908 2.836 436 3HB ALA 59 HB3 ALA 59 -5.150 -2.594 3.032 437 H VAL 60 HN VAL 60 -4.249 0.895 1.238 438 HA VAL 60 HA VAL 60 -1.659 1.714 2.049 439 HB VAL 60 HB VAL 60 -3.558 3.235 0.233 440 1HG1 VAL 60 HG11 VAL 60 -0.537 3.162 0.480 441 2HG1 VAL 60 HG13 VAL 60 -1.405 3.950 -0.838 442 3HG1 VAL 60 HG12 VAL 60 -1.592 4.536 0.814 443 1HG2 VAL 60 HG21 VAL 60 -2.764 0.609 -0.083 444 2HG2 VAL 60 HG23 VAL 60 -3.217 1.689 -1.401 445 3HG2 VAL 60 HG22 VAL 60 -1.519 1.480 -0.975 446 H ARG 61 HN ARG 61 -4.767 3.448 2.252 447 HA ARG 61 HA ARG 61 -3.855 5.804 3.555 448 1HB ARG 61 HB2 ARG 61 -6.401 4.525 2.963 449 2HB ARG 61 HB1 ARG 61 -6.437 5.267 4.562 450 1HG ARG 61 HG2 ARG 61 -5.929 7.414 3.703 451 2HG ARG 61 HG1 ARG 61 -5.379 6.759 2.161 452 1HD ARG 61 HD2 ARG 61 -7.520 6.462 1.361 453 2HD ARG 61 HD1 ARG 61 -8.194 6.182 2.967 454 HE ARG 61 HE ARG 61 -7.498 8.834 3.078 455 1HH1 ARG 61 HH21 ARG 61 -7.685 9.634 0.448 456 2HH1 ARG 61 HH22 ARG 61 -9.372 9.719 0.064 457 1HH2 ARG 61 HH11 ARG 61 -10.353 7.756 2.750 458 2HH2 ARG 61 HH12 ARG 61 -10.882 8.656 1.367 459 H ILE 62 HN ILE 62 -4.455 2.587 4.781 460 HA ILE 62 HA ILE 62 -4.501 3.333 7.609 461 HB ILE 62 HB ILE 62 -4.126 0.653 6.220 462 1HG1 ILE 62 HG12 ILE 62 -6.299 1.799 5.774 463 2HG1 ILE 62 HG11 ILE 62 -6.487 0.282 6.647 464 1HG2 ILE 62 HG23 ILE 62 -4.067 1.412 9.063 465 2HG2 ILE 62 HG22 ILE 62 -5.179 0.092 8.695 466 3HG2 ILE 62 HG21 ILE 62 -3.473 -0.048 8.270 467 1HD1 ILE 62 HD13 ILE 62 -6.164 2.658 8.377 468 2HD1 ILE 62 HD12 ILE 62 -7.637 2.646 7.408 469 3HD1 ILE 62 HD11 ILE 62 -7.292 1.311 8.509 470 H LEU 63 HN LEU 63 -2.036 2.329 5.303 471 HA LEU 63 HA LEU 63 -0.047 1.842 7.380 472 1HB LEU 63 HB2 LEU 63 -0.114 0.858 4.970 473 2HB LEU 63 HB1 LEU 63 0.604 2.395 4.488 474 HG LEU 63 HG LEU 63 2.427 2.027 6.147 475 1HD1 LEU 63 HD11 LEU 63 0.820 -0.467 6.621 476 2HD1 LEU 63 HD13 LEU 63 2.569 -0.511 6.838 477 3HD1 LEU 63 HD12 LEU 63 1.589 0.601 7.795 478 1HD2 LEU 63 HD23 LEU 63 1.904 0.046 3.938 479 2HD2 LEU 63 HD22 LEU 63 3.040 1.395 3.967 480 3HD2 LEU 63 HD21 LEU 63 3.376 -0.061 4.903 481 H MET 64 HN MET 64 -0.723 4.497 5.127 482 HA MET 64 HA MET 64 1.482 6.099 6.165 483 1HB MET 64 HB2 MET 64 0.436 6.222 3.799 484 2HB MET 64 HB1 MET 64 -0.863 7.153 4.549 485 1HG MET 64 HG2 MET 64 0.425 9.003 4.643 486 2HG MET 64 HG1 MET 64 1.748 8.123 5.405 487 1HE MET 64 HE1 MET 64 3.699 8.700 4.597 488 2HE MET 64 HE3 MET 64 3.841 7.035 4.018 489 3HE MET 64 HE2 MET 64 4.363 8.373 2.999 490 H ASP 65 HN ASP 65 -2.108 6.299 6.384 491 HA ASP 65 HA ASP 65 -1.910 8.430 8.372 492 1HB ASP 65 HB2 ASP 65 -4.525 7.031 7.659 493 2HB ASP 65 HB1 ASP 65 -4.260 8.660 8.270 494 H GLY 66 HN GLY 66 -2.083 4.962 8.474 495 1HA GLY 66 HA2 GLY 66 -1.787 3.610 10.399 496 2HA GLY 66 HA1 GLY 66 -1.892 5.057 11.399 497 H VAL 67 HN VAL 67 -3.264 2.417 11.608 498 HA VAL 67 HA VAL 67 -6.110 3.346 11.558 499 HB VAL 67 HB VAL 67 -5.802 1.508 10.014 500 1HG1 VAL 67 HG11 VAL 67 -4.596 0.037 12.371 501 2HG1 VAL 67 HG13 VAL 67 -4.949 -0.690 10.804 502 3HG1 VAL 67 HG12 VAL 67 -3.730 0.578 10.933 503 1HG2 VAL 67 HG21 VAL 67 -7.838 1.550 11.533 504 2HG2 VAL 67 HG23 VAL 67 -7.448 -0.022 10.834 505 3HG2 VAL 67 HG22 VAL 67 -7.025 0.327 12.511 506 H VAL 68 HN VAL 68 -7.451 2.437 13.321 507 HA VAL 68 HA VAL 68 -5.839 2.059 15.799 508 HB VAL 68 HB VAL 68 -8.515 3.422 15.372 509 1HG1 VAL 68 HG11 VAL 68 -7.144 2.688 17.985 510 2HG1 VAL 68 HG13 VAL 68 -8.523 3.778 17.847 511 3HG1 VAL 68 HG12 VAL 68 -8.698 2.076 17.420 512 1HG2 VAL 68 HG21 VAL 68 -5.719 4.220 16.072 513 2HG2 VAL 68 HG23 VAL 68 -6.891 5.037 15.036 514 3HG2 VAL 68 HG22 VAL 68 -7.043 5.138 16.790 515 H THR 69 HN THR 69 -6.790 0.666 17.403 516 HA THR 69 HA THR 69 -8.346 -1.555 16.206 517 HB THR 69 HB THR 69 -7.117 -3.029 17.803 518 HG1 THR 69 HG1 THR 69 -5.998 -2.089 19.278 519 1HG2 THR 69 HG22 THR 69 -6.410 -2.422 15.384 520 2HG2 THR 69 HG21 THR 69 -5.143 -1.467 16.158 521 3HG2 THR 69 HG23 THR 69 -5.226 -3.208 16.429 522 H SER 70 HN SER 70 -9.585 -2.818 17.658 523 HA SER 70 HA SER 70 -11.435 -1.312 19.195 524 1HB SER 70 HB2 SER 70 -11.949 -3.409 17.982 525 2HB SER 70 HB1 SER 70 -10.958 -4.299 19.135 526 HG SER 70 HG SER 70 -12.761 -4.404 20.226 527 H SER 71 HN SER 71 -8.443 -2.721 20.081 528 HA SER 71 HA SER 71 -9.078 -2.935 22.944 529 1HB SER 71 HB2 SER 71 -6.509 -3.362 23.020 530 2HB SER 71 HB1 SER 71 -7.545 -4.588 22.297 531 HG SER 71 HG SER 71 -5.520 -3.473 21.179 532 H GLY 72 HN GLY 72 -7.994 -0.501 20.775 533 1HA GLY 72 HA2 GLY 72 -7.867 1.840 21.507 534 2HA GLY 72 HA1 GLY 72 -7.318 1.256 23.079 535 H GLN 73 HN GLN 73 -5.851 -0.464 20.472 536 HA GLN 73 HA GLN 73 -3.325 1.096 20.891 537 1HB GLN 73 HB2 GLN 73 -3.774 -1.751 19.936 538 2HB GLN 73 HB1 GLN 73 -2.196 -0.967 20.047 539 1HG GLN 73 HG2 GLN 73 -2.700 -0.524 22.494 540 2HG GLN 73 HG1 GLN 73 -4.106 -1.574 22.317 541 1HE2 GLN 73 HE22 GLN 73 -0.584 -3.278 23.017 542 2HE2 GLN 73 HE21 GLN 73 -0.935 -1.645 23.320 543 H HIS 74 HN HIS 74 -1.961 1.437 18.923 544 HA HIS 74 HA HIS 74 -3.667 1.705 16.484 545 1HB HIS 74 HB2 HIS 74 -1.360 3.323 17.553 546 2HB HIS 74 HB1 HIS 74 -1.867 3.437 15.887 547 HD1 HIS 74 HD1 HIS 74 -2.841 5.794 15.998 548 HD2 HIS 74 HD2 HIS 74 -4.488 3.237 18.845 549 HE1 HIS 74 HE1 HIS 74 -4.814 7.019 17.006 550 H GLU 75 HN GLU 75 -2.607 1.270 14.460 551 HA GLU 75 HA GLU 75 -0.086 -0.273 14.598 552 1HB GLU 75 HB2 GLU 75 -2.463 -1.204 12.980 553 2HB GLU 75 HB1 GLU 75 -0.964 -2.075 13.298 554 1HG GLU 75 HG2 GLU 75 -2.823 -1.244 15.530 555 2HG GLU 75 HG1 GLU 75 -3.004 -2.779 14.682 556 H GLY 76 HN GLY 76 0.460 -0.875 12.124 557 1HA GLY 76 HA2 GLY 76 1.269 0.027 10.114 558 2HA GLY 76 HA1 GLY 76 -0.286 0.859 10.014 559 H ARG 77 HN ARG 77 0.582 2.819 9.292 560 HA ARG 77 HA ARG 77 1.558 4.961 9.483 561 1HB ARG 77 HB2 ARG 77 0.130 4.446 11.774 562 2HB ARG 77 HB1 ARG 77 1.714 4.859 12.427 563 1HG ARG 77 HG2 ARG 77 0.825 6.640 10.252 564 2HG ARG 77 HG1 ARG 77 -0.209 6.688 11.678 565 1HD ARG 77 HD2 ARG 77 2.774 6.815 12.013 566 2HD ARG 77 HD1 ARG 77 1.888 8.266 11.550 567 HE ARG 77 HE ARG 77 0.600 7.044 13.798 568 1HH1 ARG 77 HH11 ARG 77 1.113 9.946 13.704 569 2HH1 ARG 77 HH12 ARG 77 2.367 10.158 14.879 570 1HH2 ARG 77 HH21 ARG 77 3.226 6.800 14.964 571 2HH2 ARG 77 HH22 ARG 77 3.563 8.379 15.592 572 H LEU 78 HN LEU 78 3.318 2.416 9.647 573 HA LEU 78 HA LEU 78 5.567 3.242 11.313 574 1HB LEU 78 HB2 LEU 78 4.711 0.827 9.935 575 2HB LEU 78 HB1 LEU 78 6.409 1.165 9.616 576 HG LEU 78 HG LEU 78 6.749 1.453 12.091 577 1HD1 LEU 78 HD11 LEU 78 3.845 0.635 12.053 578 2HD1 LEU 78 HD13 LEU 78 4.859 0.320 13.461 579 3HD1 LEU 78 HD12 LEU 78 4.598 1.977 12.915 580 1HD2 LEU 78 HD22 LEU 78 5.978 -1.076 10.729 581 2HD2 LEU 78 HD21 LEU 78 7.480 -0.655 11.553 582 3HD2 LEU 78 HD23 LEU 78 6.068 -1.142 12.489 583 H LEU 79 HN LEU 79 4.517 3.929 8.079 584 HA LEU 79 HA LEU 79 7.061 4.206 6.776 585 1HB LEU 79 HB2 LEU 79 4.472 5.746 6.378 586 2HB LEU 79 HB1 LEU 79 5.847 5.796 5.276 587 HG LEU 79 HG LEU 79 4.855 3.092 6.004 588 1HD1 LEU 79 HD12 LEU 79 3.262 5.107 4.423 589 2HD1 LEU 79 HD11 LEU 79 3.120 3.379 4.102 590 3HD1 LEU 79 HD13 LEU 79 2.704 4.018 5.693 591 1HD2 LEU 79 HD23 LEU 79 5.657 4.438 3.403 592 2HD2 LEU 79 HD22 LEU 79 6.713 3.457 4.419 593 3HD2 LEU 79 HD21 LEU 79 5.335 2.715 3.605 594 H GLN 80 HN GLN 80 8.534 5.168 8.220 595 HA GLN 80 HA GLN 80 8.087 8.073 8.748 596 1HB GLN 80 HB2 GLN 80 9.296 6.092 10.693 597 2HB GLN 80 HB1 GLN 80 9.082 7.821 10.966 598 1HG GLN 80 HG2 GLN 80 6.540 7.053 10.242 599 2HG GLN 80 HG1 GLN 80 7.107 5.635 11.123 600 1HE2 GLN 80 HE22 GLN 80 7.660 7.613 14.172 601 2HE2 GLN 80 HE21 GLN 80 8.497 6.472 13.235 602 H ASP 81 HN ASP 81 10.296 8.894 9.736 603 HA ASP 81 HA ASP 81 12.165 9.185 7.716 604 1HB ASP 81 HB2 ASP 81 12.415 9.384 10.725 605 2HB ASP 81 HB1 ASP 81 13.782 9.731 9.661 606 H LEU 82 HN LEU 82 13.712 8.005 6.884 607 HA LEU 82 HA LEU 82 14.830 5.638 8.320 608 1HB LEU 82 HB2 LEU 82 13.783 5.889 5.511 609 2HB LEU 82 HB1 LEU 82 15.069 4.744 5.841 610 HG LEU 82 HG LEU 82 12.437 4.820 7.348 611 1HD1 LEU 82 HD11 LEU 82 12.486 4.191 4.777 612 2HD1 LEU 82 HD13 LEU 82 13.191 2.686 5.369 613 3HD1 LEU 82 HD12 LEU 82 11.588 3.182 5.913 614 1HD2 LEU 82 HD22 LEU 82 14.738 2.843 7.218 615 2HD2 LEU 82 HD21 LEU 82 14.220 3.772 8.624 616 3HD2 LEU 82 HD23 LEU 82 13.187 2.495 7.984 617 HA PRO 83 HA PRO 83 18.716 7.437 7.309 618 1HB PRO 83 HB2 PRO 83 20.263 5.324 6.433 619 2HB PRO 83 HB1 PRO 83 19.879 5.637 8.136 620 1HG PRO 83 HG2 PRO 83 18.704 3.597 6.284 621 2HG PRO 83 HG1 PRO 83 18.950 3.512 8.037 622 1HD PRO 83 HD2 PRO 83 16.500 4.022 6.823 623 2HD PRO 83 HD1 PRO 83 16.898 4.472 8.492 624 H GLY 84 HN GLY 84 18.250 8.781 5.603 625 1HA GLY 84 HA2 GLY 84 18.861 9.567 3.437 626 2HA GLY 84 HA1 GLY 84 19.134 7.903 2.921 627 H CYS 85 HN CYS 85 16.133 8.021 4.536 628 HA CYS 85 HA CYS 85 14.662 8.692 2.027 629 1HB CYS 85 HB2 CYS 85 13.800 6.324 3.659 630 2HB CYS 85 HB1 CYS 85 13.449 6.694 1.981 631 HA PRO 86 HA PRO 86 12.606 10.710 5.648 632 1HB PRO 86 HB2 PRO 86 11.752 12.924 4.241 633 2HB PRO 86 HB1 PRO 86 13.323 12.814 5.028 634 1HG PRO 86 HG2 PRO 86 12.659 12.625 2.137 635 2HG PRO 86 HG1 PRO 86 14.163 13.152 2.909 636 1HD PRO 86 HD2 PRO 86 13.737 10.651 1.711 637 2HD PRO 86 HD1 PRO 86 15.063 11.040 2.824 638 H ARG 87 HN ARG 87 10.279 11.375 5.945 639 HA ARG 87 HA ARG 87 8.395 9.589 4.900 640 1HB ARG 87 HB2 ARG 87 8.090 12.366 6.044 641 2HB ARG 87 HB1 ARG 87 6.707 11.348 5.626 642 1HG ARG 87 HG2 ARG 87 7.720 9.550 7.007 643 2HG ARG 87 HG1 ARG 87 8.923 10.721 7.544 644 1HD ARG 87 HD2 ARG 87 7.172 10.666 9.217 645 2HD ARG 87 HD1 ARG 87 7.019 12.185 8.332 646 HE ARG 87 HE ARG 87 5.298 10.670 6.930 647 1HH1 ARG 87 HH21 ARG 87 5.638 8.992 9.620 648 2HH1 ARG 87 HH22 ARG 87 4.131 9.397 10.372 649 1HH2 ARG 87 HH11 ARG 87 3.438 12.005 8.200 650 2HH2 ARG 87 HH12 ARG 87 2.888 11.099 9.570 651 H GLN 88 HN GLN 88 9.632 12.574 3.647 652 HA GLN 88 HA GLN 88 7.513 13.275 1.858 653 1HB GLN 88 HB2 GLN 88 10.166 14.193 2.438 654 2HB GLN 88 HB1 GLN 88 9.995 14.078 0.688 655 1HG GLN 88 HG2 GLN 88 7.745 15.309 2.226 656 2HG GLN 88 HG1 GLN 88 9.218 16.258 2.021 657 1HE2 GLN 88 HE22 GLN 88 6.689 15.911 -1.077 658 2HE2 GLN 88 HE21 GLN 88 6.290 15.433 0.501 659 H VAL 89 HN VAL 89 10.451 11.295 1.173 660 HA VAL 89 HA VAL 89 9.790 10.918 -1.600 661 HB VAL 89 HB VAL 89 11.616 9.333 0.215 662 1HG1 VAL 89 HG13 VAL 89 10.851 8.559 -2.237 663 2HG1 VAL 89 HG12 VAL 89 12.086 9.727 -2.705 664 3HG1 VAL 89 HG11 VAL 89 12.511 8.357 -1.679 665 1HG2 VAL 89 HG22 VAL 89 11.854 11.913 -1.250 666 2HG2 VAL 89 HG21 VAL 89 12.410 11.483 0.368 667 3HG2 VAL 89 HG23 VAL 89 13.281 10.895 -1.048 668 H GLN 90 HN GLN 90 9.359 8.895 1.305 669 HA GLN 90 HA GLN 90 8.216 6.673 -0.168 670 1HB GLN 90 HB2 GLN 90 7.529 5.819 2.048 671 2HB GLN 90 HB1 GLN 90 9.215 6.332 2.055 672 1HG GLN 90 HG2 GLN 90 8.179 8.638 2.852 673 2HG GLN 90 HG1 GLN 90 6.842 7.607 3.366 674 1HE2 GLN 90 HE22 GLN 90 10.522 6.949 5.100 675 2HE2 GLN 90 HE21 GLN 90 10.456 7.515 3.501 676 H ARG 91 HN ARG 91 6.973 9.638 1.165 677 HA ARG 91 HA ARG 91 4.161 8.843 1.036 678 1HB ARG 91 HB2 ARG 91 5.007 10.581 2.621 679 2HB ARG 91 HB1 ARG 91 5.337 11.629 1.242 680 1HG ARG 91 HG2 ARG 91 3.141 12.145 0.951 681 2HG ARG 91 HG1 ARG 91 2.612 10.494 1.272 682 1HD ARG 91 HD2 ARG 91 3.299 11.032 3.742 683 2HD ARG 91 HD1 ARG 91 3.162 12.713 3.226 684 HE ARG 91 HE ARG 91 0.819 11.254 2.428 685 1HH1 ARG 91 HH11 ARG 91 2.049 11.089 5.476 686 2HH1 ARG 91 HH12 ARG 91 0.794 11.994 6.256 687 1HH2 ARG 91 HH21 ARG 91 -0.636 13.073 3.288 688 2HH2 ARG 91 HH22 ARG 91 -0.725 13.117 5.018 689 H ALA 92 HN ALA 92 6.477 10.387 -1.109 690 HA ALA 92 HA ALA 92 4.485 11.379 -2.985 691 1HB ALA 92 HB3 ALA 92 7.467 11.194 -2.891 692 2HB ALA 92 HB2 ALA 92 6.701 11.407 -4.465 693 3HB ALA 92 HB1 ALA 92 6.438 12.595 -3.188 694 H PHE 93 HN PHE 93 6.748 8.613 -2.977 695 HA PHE 93 HA PHE 93 5.731 7.536 -5.487 696 1HB PHE 93 HB2 PHE 93 8.068 7.212 -4.828 697 2HB PHE 93 HB1 PHE 93 7.551 6.346 -3.387 698 HD1 PHE 93 HD1 PHE 93 7.353 6.252 -7.117 699 HD2 PHE 93 HD2 PHE 93 7.178 4.011 -3.455 700 HE1 PHE 93 HE1 PHE 93 7.280 4.141 -8.413 701 HE2 PHE 93 HE2 PHE 93 7.107 1.900 -4.752 702 HZ PHE 93 HZ PHE 93 7.159 1.964 -7.231 703 H ALA 94 HN ALA 94 5.023 7.020 -2.088 704 HA ALA 94 HA ALA 94 3.927 4.449 -2.108 705 1HB ALA 94 HB2 ALA 94 3.455 6.885 -0.454 706 2HB ALA 94 HB1 ALA 94 2.355 5.520 -0.261 707 3HB ALA 94 HB3 ALA 94 4.084 5.305 0.016 708 HA PRO 95 HA PRO 95 -0.467 6.205 -3.081 709 1HB PRO 95 HB2 PRO 95 -0.599 8.596 -4.439 710 2HB PRO 95 HB1 PRO 95 -0.720 8.427 -2.680 711 1HG PRO 95 HG2 PRO 95 1.590 9.366 -4.328 712 2HG PRO 95 HG1 PRO 95 1.132 9.815 -2.675 713 1HD PRO 95 HD2 PRO 95 3.174 8.039 -3.331 714 2HD PRO 95 HD1 PRO 95 2.380 8.118 -1.749 715 H LYS 96 HN LYS 96 2.119 5.835 -5.197 716 HA LYS 96 HA LYS 96 0.274 5.535 -7.540 717 1HB LYS 96 HB2 LYS 96 3.210 6.231 -7.376 718 2HB LYS 96 HB1 LYS 96 2.492 5.618 -8.866 719 1HG LYS 96 HG2 LYS 96 0.840 7.725 -7.723 720 2HG LYS 96 HG1 LYS 96 2.491 8.289 -7.967 721 1HD LYS 96 HD2 LYS 96 1.717 8.692 -10.087 722 2HD LYS 96 HD1 LYS 96 2.128 6.991 -10.305 723 1HE LYS 96 HE2 LYS 96 -0.044 6.842 -11.009 724 2HE LYS 96 HE1 LYS 96 -0.371 6.739 -9.280 725 1HZ LYS 96 HZ2 LYS 96 -0.228 9.332 -10.699 726 2HZ LYS 96 HZ1 LYS 96 -1.674 8.446 -10.590 727 3HZ LYS 96 HZ3 LYS 96 -0.911 8.999 -9.180 728 H LEU 97 HN LEU 97 0.984 3.627 -5.274 729 HA LEU 97 HA LEU 97 2.640 1.528 -6.370 730 1HB LEU 97 HB2 LEU 97 1.814 2.126 -3.897 731 2HB LEU 97 HB1 LEU 97 0.644 0.864 -4.277 732 HG LEU 97 HG LEU 97 3.383 0.166 -5.092 733 1HD1 LEU 97 HD11 LEU 97 3.880 1.507 -3.057 734 2HD1 LEU 97 HD13 LEU 97 2.770 0.489 -2.140 735 3HD1 LEU 97 HD12 LEU 97 4.237 -0.206 -2.829 736 1HD2 LEU 97 HD21 LEU 97 1.341 -1.341 -4.936 737 2HD2 LEU 97 HD23 LEU 97 2.781 -1.952 -4.122 738 3HD2 LEU 97 HD22 LEU 97 1.480 -1.220 -3.182 739 H VAL 98 HN VAL 98 -0.901 2.057 -6.766 740 HA VAL 98 HA VAL 98 -1.255 -0.745 -7.637 741 HB VAL 98 HB VAL 98 -3.610 -0.142 -7.837 742 1HG1 VAL 98 HG13 VAL 98 -2.303 -0.625 -5.620 743 2HG1 VAL 98 HG12 VAL 98 -2.734 1.046 -5.252 744 3HG1 VAL 98 HG11 VAL 98 -3.998 -0.142 -5.570 745 1HG2 VAL 98 HG21 VAL 98 -2.634 2.486 -8.112 746 2HG2 VAL 98 HG23 VAL 98 -4.325 1.997 -8.033 747 3HG2 VAL 98 HG22 VAL 98 -3.475 2.471 -6.563 748 H THR 99 HN THR 99 0.363 1.271 -9.193 749 HA THR 99 HA THR 99 -1.233 1.480 -11.690 750 HB THR 99 HB THR 99 0.404 3.052 -12.474 751 HG1 THR 99 HG1 THR 99 2.380 3.318 -11.410 752 1HG2 THR 99 HG21 THR 99 -1.091 3.791 -10.570 753 2HG2 THR 99 HG23 THR 99 0.285 3.531 -9.499 754 3HG2 THR 99 HG22 THR 99 0.386 4.734 -10.785 755 H GLU 100 HN GLU 100 0.182 0.994 -13.796 756 HA GLU 100 HA GLU 100 0.851 -1.772 -13.739 757 1HB GLU 100 HB2 GLU 100 1.684 0.337 -15.748 758 2HB GLU 100 HB1 GLU 100 1.699 -1.407 -16.017 759 1HG GLU 100 HG2 GLU 100 -0.839 -1.182 -15.219 760 2HG GLU 100 HG1 GLU 100 -0.626 0.462 -15.823 761 H VAL 101 HN VAL 101 2.792 0.678 -12.313 762 HA VAL 101 HA VAL 101 5.323 -0.660 -13.095 763 HB VAL 101 HB VAL 101 4.902 1.847 -11.440 764 1HG1 VAL 101 HG13 VAL 101 7.291 0.391 -12.532 765 2HG1 VAL 101 HG12 VAL 101 7.349 2.147 -12.373 766 3HG1 VAL 101 HG11 VAL 101 7.071 1.141 -10.952 767 1HG2 VAL 101 HG23 VAL 101 4.175 1.726 -13.990 768 2HG2 VAL 101 HG22 VAL 101 5.066 3.116 -13.377 769 3HG2 VAL 101 HG21 VAL 101 5.913 1.847 -14.262 770 H GLU 102 HN GLU 102 3.018 -1.245 -10.784 771 HA GLU 102 HA GLU 102 5.086 -2.308 -8.931 772 1HB GLU 102 HB2 GLU 102 2.961 -0.316 -8.274 773 2HB GLU 102 HB1 GLU 102 3.375 -1.522 -7.056 774 1HG GLU 102 HG2 GLU 102 5.724 -0.304 -8.350 775 2HG GLU 102 HG1 GLU 102 4.730 0.852 -7.466 776 H CYS 103 HN CYS 103 1.615 -2.215 -8.189 777 HA CYS 103 HA CYS 103 1.325 -5.085 -8.967 778 1HB CYS 103 HB2 CYS 103 1.163 -3.931 -6.189 779 2HB CYS 103 HB1 CYS 103 0.217 -5.356 -6.618 780 H ASN 104 HN ASN 104 0.121 -2.797 -10.240 781 HA ASN 104 HA ASN 104 -2.307 -1.805 -9.441 782 1HB ASN 104 HB2 ASN 104 -1.248 -1.337 -11.611 783 2HB ASN 104 HB1 ASN 104 -1.698 -2.930 -12.185 784 1HD2 ASN 104 HD22 ASN 104 -4.347 -0.773 -13.500 785 2HD2 ASN 104 HD21 ASN 104 -2.726 -1.164 -13.821 786 H LEU 105 HN LEU 105 -2.190 -4.819 -11.423 787 HA LEU 105 HA LEU 105 -3.841 -6.503 -11.656 788 1HB LEU 105 HB2 LEU 105 -3.869 -6.170 -8.635 789 2HB LEU 105 HB1 LEU 105 -4.429 -7.588 -9.521 790 HG LEU 105 HG LEU 105 -1.657 -6.647 -10.088 791 1HD1 LEU 105 HD11 LEU 105 -2.567 -7.872 -7.483 792 2HD1 LEU 105 HD13 LEU 105 -0.937 -8.143 -8.099 793 3HD1 LEU 105 HD12 LEU 105 -1.481 -6.506 -7.736 794 1HD2 LEU 105 HD21 LEU 105 -3.009 -8.700 -11.031 795 2HD2 LEU 105 HD23 LEU 105 -1.306 -8.898 -10.614 796 3HD2 LEU 105 HD22 LEU 105 -2.556 -9.455 -9.502 797 H ALA 106 HN ALA 106 -4.837 -3.673 -11.738 798 HA ALA 106 HA ALA 106 -6.874 -2.561 -11.935 799 1HB ALA 106 HB2 ALA 106 -7.538 -5.073 -12.603 800 2HB ALA 106 HB1 ALA 106 -8.424 -4.979 -11.082 801 3HB ALA 106 HB3 ALA 106 -8.764 -3.828 -12.373 802 H THR 107 HN THR 107 -8.552 -1.679 -10.528 803 HA THR 107 HA THR 107 -8.152 -2.306 -7.620 804 HB THR 107 HB THR 107 -7.924 -0.016 -7.064 805 HG1 THR 107 HG1 THR 107 -9.054 0.503 -9.620 806 1HG2 THR 107 HG21 THR 107 -6.176 -1.016 -8.856 807 2HG2 THR 107 HG23 THR 107 -6.758 0.382 -9.758 808 3HG2 THR 107 HG22 THR 107 -6.030 0.602 -8.166 809 H ILE 108 HN ILE 108 -10.128 -0.498 -6.660 810 HA ILE 108 HA ILE 108 -12.577 -1.919 -7.290 811 HB ILE 108 HB ILE 108 -12.193 -0.840 -5.075 812 1HG1 ILE 108 HG12 ILE 108 -14.528 0.479 -6.476 813 2HG1 ILE 108 HG11 ILE 108 -14.507 -1.242 -6.087 814 1HG2 ILE 108 HG23 ILE 108 -11.038 1.197 -6.051 815 2HG2 ILE 108 HG22 ILE 108 -12.632 1.783 -6.526 816 3HG2 ILE 108 HG21 ILE 108 -12.249 1.555 -4.820 817 1HD1 ILE 108 HD11 ILE 108 -13.975 -0.545 -3.684 818 2HD1 ILE 108 HD13 ILE 108 -14.397 1.095 -4.173 819 3HD1 ILE 108 HD12 ILE 108 -15.605 -0.188 -4.251 820 H HIS 109 HN HIS 109 -11.052 1.058 -8.335 821 HA HIS 109 HA HIS 109 -13.220 2.229 -9.775 822 1HB HIS 109 HB2 HIS 109 -10.210 2.494 -10.078 823 2HB HIS 109 HB1 HIS 109 -11.380 3.500 -10.925 824 HD1 HIS 109 HD1 HIS 109 -13.049 4.895 -9.311 825 HD2 HIS 109 HD2 HIS 109 -9.601 3.384 -7.521 826 HE1 HIS 109 HE1 HIS 109 -12.707 6.203 -7.182 827 H GLY 110 HN GLY 110 -11.596 -0.689 -10.499 828 1HA GLY 110 HA2 GLY 110 -11.557 -2.036 -12.402 829 2HA GLY 110 HA1 GLY 110 -12.863 -1.024 -13.023 830 H GLY 111 HN GLY 111 -9.547 -0.045 -12.160 831 1HA GLY 111 HA2 GLY 111 -8.512 0.053 -14.839 832 2HA GLY 111 HA1 GLY 111 -9.130 1.641 -14.388 833 HA PRO 112 HA PRO 112 -4.806 0.949 -12.593 834 1HB PRO 112 HB2 PRO 112 -3.370 2.493 -14.374 835 2HB PRO 112 HB1 PRO 112 -3.580 0.747 -14.540 836 1HG PRO 112 HG2 PRO 112 -4.850 2.950 -16.080 837 2HG PRO 112 HG1 PRO 112 -4.587 1.265 -16.554 838 1HD PRO 112 HD2 PRO 112 -7.042 2.396 -15.688 839 2HD PRO 112 HD1 PRO 112 -6.694 0.667 -15.891 840 H PHE 113 HN PHE 113 -6.147 2.401 -11.093 841 HA PHE 113 HA PHE 113 -4.737 4.757 -10.476 842 1HB PHE 113 HB2 PHE 113 -6.456 6.513 -10.999 843 2HB PHE 113 HB1 PHE 113 -5.655 5.841 -12.411 844 HD1 PHE 113 HD1 PHE 113 -6.848 4.282 -13.909 845 HD2 PHE 113 HD2 PHE 113 -8.835 6.151 -10.588 846 HE1 PHE 113 HE1 PHE 113 -9.037 3.720 -14.913 847 HE2 PHE 113 HE2 PHE 113 -11.027 5.582 -11.596 848 HZ PHE 113 HZ PHE 113 -11.130 4.377 -13.766 849 H CYS 114 HN CYS 114 -5.622 5.901 -8.603 850 HA CYS 114 HA CYS 114 -8.098 5.329 -7.339 851 1HB CYS 114 HB2 CYS 114 -6.760 3.030 -7.246 852 2HB CYS 114 HB1 CYS 114 -5.901 3.840 -5.973 853 H LEU 115 HN LEU 115 -8.126 6.299 -5.120 854 HA LEU 115 HA LEU 115 -7.539 8.011 -3.631 855 1HB LEU 115 HB2 LEU 115 -5.300 6.225 -3.895 856 2HB LEU 115 HB1 LEU 115 -4.681 7.867 -3.720 857 HG LEU 115 HG LEU 115 -6.321 8.102 -1.756 858 1HD1 LEU 115 HD13 LEU 115 -6.592 5.213 -2.469 859 2HD1 LEU 115 HD12 LEU 115 -6.585 5.638 -0.758 860 3HD1 LEU 115 HD11 LEU 115 -7.800 6.329 -1.833 861 1HD2 LEU 115 HD23 LEU 115 -3.802 7.706 -1.631 862 2HD2 LEU 115 HD22 LEU 115 -4.722 7.184 -0.219 863 3HD2 LEU 115 HD21 LEU 115 -4.171 5.997 -1.401 864 H SER 116 HN SER 116 -7.501 8.496 -6.672 865 HA SER 116 HA SER 116 -6.508 11.239 -6.542 866 1HB SER 116 HB2 SER 116 -4.636 9.374 -7.293 867 2HB SER 116 HB1 SER 116 -5.305 9.848 -8.852 868 HG SER 116 HG SER 116 -4.125 11.470 -6.852 869 H LEU 117 HN LEU 117 -7.021 8.896 -9.208 870 HA LEU 117 HA LEU 117 -8.533 8.916 -11.005 871 1HB LEU 117 HB2 LEU 117 -10.018 9.379 -8.683 872 2HB LEU 117 HB1 LEU 117 -10.537 10.664 -9.773 873 HG LEU 117 HG LEU 117 -10.350 7.797 -10.703 874 1HD1 LEU 117 HD12 LEU 117 -12.725 9.194 -9.438 875 2HD1 LEU 117 HD11 LEU 117 -12.783 7.628 -10.247 876 3HD1 LEU 117 HD13 LEU 117 -11.849 7.819 -8.763 877 1HD2 LEU 117 HD22 LEU 117 -11.806 10.289 -11.619 878 2HD2 LEU 117 HD21 LEU 117 -10.542 9.408 -12.479 879 3HD2 LEU 117 HD23 LEU 117 -12.137 8.685 -12.274 880 H LEU 118 HN LEU 118 -6.499 11.077 -10.651 881 HA LEU 118 HA LEU 118 -5.800 12.897 -11.890 882 1HB LEU 118 HB2 LEU 118 -8.441 12.470 -13.244 883 2HB LEU 118 HB1 LEU 118 -7.550 13.954 -13.505 884 HG LEU 118 HG LEU 118 -6.284 11.224 -13.770 885 1HD1 LEU 118 HD13 LEU 118 -8.300 11.703 -15.325 886 2HD1 LEU 118 HD12 LEU 118 -7.257 12.911 -16.076 887 3HD1 LEU 118 HD11 LEU 118 -6.785 11.211 -16.083 888 1HD2 LEU 118 HD21 LEU 118 -5.506 14.062 -14.279 889 2HD2 LEU 118 HD23 LEU 118 -4.523 12.716 -13.704 890 3HD2 LEU 118 HD22 LEU 118 -4.919 12.849 -15.418 891 H GLY 119 HN GLY 119 -8.604 13.144 -9.854 892 1HA GLY 119 HA2 GLY 119 -8.254 15.121 -8.252 893 2HA GLY 119 HA1 GLY 119 -8.246 16.096 -9.721 894 H ALA 120 HN ALA 120 -10.115 16.882 -8.024 895 HA ALA 120 HA ALA 120 -12.666 15.481 -8.634 896 1HB ALA 120 HB2 ALA 120 -11.861 16.353 -6.274 897 2HB ALA 120 HB1 ALA 120 -12.471 17.899 -6.867 898 3HB ALA 120 HB3 ALA 120 -13.554 16.512 -6.743 899 H GLY 121 HN GLY 121 -11.483 16.729 -10.807 900 1HA GLY 121 HA2 GLY 121 -12.845 19.337 -11.189 901 2HA GLY 121 HA1 GLY 121 -11.664 18.622 -12.286 902 H GLU 122 HN GLU 122 -14.275 16.652 -11.042 903 HA GLU 122 HA GLU 122 -15.433 16.520 -13.786 904 1HB GLU 122 HB2 GLU 122 -15.275 14.611 -11.478 905 2HB GLU 122 HB1 GLU 122 -16.607 14.453 -12.622 906 1HG GLU 122 HG2 GLU 122 -14.360 14.802 -14.251 907 2HG GLU 122 HG1 GLU 122 -13.787 13.755 -12.953 No H/Q in entry = 907 Start of MODEL 13 Raw file had 930 H/Q atoms Start of MODEL 13 1 1H SER 1 HT2 SER 1 -13.749 -18.247 3.825 2 2H SER 1 HT1 SER 1 -12.203 -17.787 4.356 3 3H SER 1 HT3 SER 1 -13.542 -16.807 4.702 4 HA SER 1 HA SER 1 -12.459 -15.736 2.941 5 1HB SER 1 HB2 SER 1 -12.071 -18.555 2.027 6 2HB SER 1 HB1 SER 1 -12.164 -17.299 0.796 7 HG SER 1 HG SER 1 -10.432 -16.287 1.710 8 H VAL 2 HN VAL 2 -15.236 -16.433 3.728 9 HA VAL 2 HA VAL 2 -16.583 -16.293 1.074 10 HB VAL 2 HB VAL 2 -17.482 -18.166 2.169 11 1HG1 VAL 2 HG12 VAL 2 -16.963 -16.624 4.631 12 2HG1 VAL 2 HG11 VAL 2 -18.415 -17.622 4.673 13 3HG1 VAL 2 HG13 VAL 2 -16.850 -18.358 4.333 14 1HG2 VAL 2 HG23 VAL 2 -19.149 -16.035 1.682 15 2HG2 VAL 2 HG22 VAL 2 -19.690 -17.667 2.072 16 3HG2 VAL 2 HG21 VAL 2 -19.569 -16.451 3.344 17 H GLY 3 HN GLY 3 -18.178 -15.200 4.050 18 1HA GLY 3 HA2 GLY 3 -18.814 -12.646 2.911 19 2HA GLY 3 HA1 GLY 3 -19.065 -13.105 4.595 20 H THR 4 HN THR 4 -17.685 -12.290 6.113 21 HA THR 4 HA THR 4 -16.151 -10.763 7.004 22 HB THR 4 HB THR 4 -14.770 -12.747 6.929 23 HG1 THR 4 HG1 THR 4 -12.941 -11.690 7.134 24 1HG2 THR 4 HG21 THR 4 -14.242 -11.953 4.058 25 2HG2 THR 4 HG23 THR 4 -13.294 -13.155 4.930 26 3HG2 THR 4 HG22 THR 4 -15.008 -13.434 4.632 27 H SER 5 HN SER 5 -17.423 -9.203 5.518 28 HA SER 5 HA SER 5 -16.074 -8.099 3.201 29 1HB SER 5 HB2 SER 5 -18.550 -7.631 4.686 30 2HB SER 5 HB1 SER 5 -17.812 -6.135 4.124 31 HG SER 5 HG SER 5 -19.068 -8.093 2.726 32 H CYS 6 HN CYS 6 -13.894 -7.695 4.108 33 HA CYS 6 HA CYS 6 -12.232 -6.357 5.050 34 1HB CYS 6 HB2 CYS 6 -14.376 -4.215 5.012 35 2HB CYS 6 HB1 CYS 6 -12.628 -3.969 5.020 36 H ILE 7 HN ILE 7 -11.828 -7.136 7.073 37 HA ILE 7 HA ILE 7 -13.314 -5.897 9.346 38 HB ILE 7 HB ILE 7 -12.469 -8.805 9.088 39 1HG1 ILE 7 HG12 ILE 7 -15.238 -7.634 9.440 40 2HG1 ILE 7 HG11 ILE 7 -14.556 -8.034 7.863 41 1HG2 ILE 7 HG21 ILE 7 -12.212 -7.829 11.399 42 2HG2 ILE 7 HG23 ILE 7 -13.937 -7.465 11.375 43 3HG2 ILE 7 HG22 ILE 7 -13.390 -9.139 11.298 44 1HD1 ILE 7 HD11 ILE 7 -14.416 -10.135 9.973 45 2HD1 ILE 7 HD13 ILE 7 -15.999 -9.802 9.271 46 3HD1 ILE 7 HD12 ILE 7 -14.663 -10.300 8.237 47 HA PRO 8 HA PRO 8 -9.108 -5.056 10.594 48 1HB PRO 8 HB2 PRO 8 -9.580 -4.276 13.186 49 2HB PRO 8 HB1 PRO 8 -9.885 -3.248 11.777 50 1HG PRO 8 HG2 PRO 8 -11.836 -4.685 13.505 51 2HG PRO 8 HG1 PRO 8 -12.063 -3.223 12.533 52 1HD PRO 8 HD2 PRO 8 -12.918 -5.824 11.845 53 2HD PRO 8 HD1 PRO 8 -12.853 -4.426 10.756 54 H GLY 9 HN GLY 9 -8.084 -7.164 10.688 55 1HA GLY 9 HA2 GLY 9 -6.816 -8.549 12.281 56 2HA GLY 9 HA1 GLY 9 -8.220 -8.532 13.342 57 H MET 10 HN MET 10 -9.712 -8.933 10.497 58 HA MET 10 HA MET 10 -9.289 -11.887 10.393 59 1HB MET 10 HB2 MET 10 -11.930 -10.417 10.139 60 2HB MET 10 HB1 MET 10 -11.701 -12.164 10.064 61 1HG MET 10 HG2 MET 10 -10.649 -10.724 12.464 62 2HG MET 10 HG1 MET 10 -12.393 -10.954 12.340 63 1HE MET 10 HE2 MET 10 -9.553 -11.969 13.873 64 2HE MET 10 HE1 MET 10 -10.987 -12.337 14.827 65 3HE MET 10 HE3 MET 10 -9.843 -13.620 14.413 66 H ALA 11 HN ALA 11 -8.359 -12.190 8.236 67 HA ALA 11 HA ALA 11 -8.415 -12.243 5.885 68 1HB ALA 11 HB1 ALA 11 -10.941 -11.579 6.116 69 2HB ALA 11 HB3 ALA 11 -10.366 -9.951 5.752 70 3HB ALA 11 HB2 ALA 11 -10.106 -11.258 4.597 71 H ILE 12 HN ILE 12 -8.813 -8.925 7.228 72 HA ILE 12 HA ILE 12 -6.349 -8.154 5.737 73 HB ILE 12 HB ILE 12 -8.563 -6.358 6.771 74 1HG1 ILE 12 HG12 ILE 12 -7.884 -7.280 3.958 75 2HG1 ILE 12 HG11 ILE 12 -9.300 -7.769 4.884 76 1HG2 ILE 12 HG23 ILE 12 -5.926 -5.716 6.267 77 2HG2 ILE 12 HG22 ILE 12 -6.691 -5.374 4.716 78 3HG2 ILE 12 HG21 ILE 12 -7.271 -4.580 6.180 79 1HD1 ILE 12 HD13 ILE 12 -9.365 -4.973 4.971 80 2HD1 ILE 12 HD12 ILE 12 -8.864 -5.343 3.321 81 3HD1 ILE 12 HD11 ILE 12 -10.369 -6.008 3.955 82 HA PRO 13 HA PRO 13 -5.214 -8.084 10.161 83 1HB PRO 13 HB2 PRO 13 -2.549 -8.624 9.833 84 2HB PRO 13 HB1 PRO 13 -3.808 -9.865 9.905 85 1HG PRO 13 HG2 PRO 13 -2.244 -8.943 7.568 86 2HG PRO 13 HG1 PRO 13 -3.155 -10.446 7.779 87 1HD PRO 13 HD2 PRO 13 -3.943 -8.101 6.329 88 2HD PRO 13 HD1 PRO 13 -4.905 -9.582 6.579 89 H HIS 14 HN HIS 14 -3.468 -6.886 11.383 90 HA HIS 14 HA HIS 14 -3.382 -4.136 10.505 91 1HB HIS 14 HB2 HIS 14 -2.045 -5.451 12.908 92 2HB HIS 14 HB1 HIS 14 -2.477 -3.767 12.725 93 HD1 HIS 14 HD1 HIS 14 -4.927 -3.077 13.178 94 HD2 HIS 14 HD2 HIS 14 -4.315 -7.200 13.296 95 HE1 HIS 14 HE1 HIS 14 -7.083 -4.101 14.065 96 H ASN 15 HN ASN 15 -1.366 -2.945 10.029 97 HA ASN 15 HA ASN 15 0.784 -2.668 9.166 98 1HB ASN 15 HB2 ASN 15 1.329 -4.027 11.306 99 2HB ASN 15 HB1 ASN 15 1.495 -5.408 10.221 100 1HD2 ASN 15 HD22 ASN 15 4.470 -2.692 10.432 101 2HD2 ASN 15 HD21 ASN 15 3.122 -2.636 11.461 102 HA PRO 16 HA PRO 16 -0.424 -5.724 5.772 103 1HB PRO 16 HB2 PRO 16 -1.838 -4.016 4.170 104 2HB PRO 16 HB1 PRO 16 -2.592 -4.996 5.436 105 1HG PRO 16 HG2 PRO 16 -1.969 -2.068 5.440 106 2HG PRO 16 HG1 PRO 16 -3.284 -2.937 6.249 107 1HD PRO 16 HD2 PRO 16 -0.946 -2.034 7.525 108 2HD PRO 16 HD1 PRO 16 -2.056 -3.285 8.127 109 H LEU 17 HN LEU 17 0.309 -5.609 3.525 110 HA LEU 17 HA LEU 17 1.990 -5.159 1.964 111 1HB LEU 17 HB2 LEU 17 0.854 -2.417 2.560 112 2HB LEU 17 HB1 LEU 17 2.031 -2.687 1.285 113 HG LEU 17 HG LEU 17 -0.144 -2.736 0.265 114 1HD1 LEU 17 HD13 LEU 17 1.504 -4.543 -0.408 115 2HD1 LEU 17 HD12 LEU 17 0.599 -5.644 0.630 116 3HD1 LEU 17 HD11 LEU 17 -0.187 -4.899 -0.760 117 1HD2 LEU 17 HD23 LEU 17 -1.317 -3.213 2.468 118 2HD2 LEU 17 HD22 LEU 17 -1.986 -4.026 1.055 119 3HD2 LEU 17 HD21 LEU 17 -0.970 -4.919 2.185 120 H ASP 18 HN ASP 18 3.169 -5.618 4.411 121 HA ASP 18 HA ASP 18 4.947 -3.515 5.283 122 1HB ASP 18 HB2 ASP 18 6.217 -5.354 6.403 123 2HB ASP 18 HB1 ASP 18 4.484 -5.427 6.740 124 H SER 19 HN SER 19 5.150 -6.045 2.877 125 HA SER 19 HA SER 19 7.938 -5.798 2.234 126 1HB SER 19 HB2 SER 19 5.958 -7.513 1.490 127 2HB SER 19 HB1 SER 19 6.066 -6.512 0.045 128 HG SER 19 HG SER 19 8.080 -8.043 1.316 129 H CYS 20 HN CYS 20 5.097 -3.956 1.376 130 HA CYS 20 HA CYS 20 6.189 -2.601 -0.924 131 1HB CYS 20 HB2 CYS 20 3.876 -2.107 0.920 132 2HB CYS 20 HB1 CYS 20 4.316 -0.930 -0.312 133 H ARG 21 HN ARG 21 5.867 -1.792 2.516 134 HA ARG 21 HA ARG 21 7.014 0.797 2.432 135 1HB ARG 21 HB2 ARG 21 6.311 0.695 4.569 136 2HB ARG 21 HB1 ARG 21 6.050 -1.033 4.413 137 1HG ARG 21 HG2 ARG 21 8.246 -1.530 5.240 138 2HG ARG 21 HG1 ARG 21 8.763 0.149 5.076 139 1HD ARG 21 HD2 ARG 21 7.192 0.838 6.818 140 2HD ARG 21 HD1 ARG 21 6.577 -0.810 6.948 141 HE ARG 21 HE ARG 21 9.307 0.059 7.790 142 1HH1 ARG 21 HH21 ARG 21 7.615 -2.732 7.015 143 2HH1 ARG 21 HH22 ARG 21 7.884 -3.528 8.530 144 1HH2 ARG 21 HH11 ARG 21 9.273 -0.745 10.056 145 2HH2 ARG 21 HH12 ARG 21 8.821 -2.405 10.248 146 H TRP 22 HN TRP 22 8.595 -2.327 3.264 147 HA TRP 22 HA TRP 22 11.222 -1.204 3.382 148 1HB TRP 22 HB2 TRP 22 10.304 -4.047 3.101 149 2HB TRP 22 HB1 TRP 22 11.998 -3.622 2.939 150 HD1 TRP 22 HD1 TRP 22 9.763 -4.663 5.504 151 HE1 TRP 22 HE1 TRP 22 10.567 -3.892 7.845 152 HE3 TRP 22 HE3 TRP 22 13.125 -1.287 4.054 153 HZ2 TRP 22 HZ2 TRP 22 12.480 -1.997 8.924 154 HZ3 TRP 22 HZ3 TRP 22 14.475 0.033 5.698 155 HH2 TRP 22 HH2 TRP 22 14.149 -0.330 8.135 156 H TYR 23 HN TYR 23 9.246 -2.292 0.716 157 HA TYR 23 HA TYR 23 11.349 -2.561 -1.234 158 1HB TYR 23 HB2 TYR 23 9.033 -3.444 -1.557 159 2HB TYR 23 HB1 TYR 23 8.455 -1.788 -1.764 160 HD1 TYR 23 HD1 TYR 23 9.923 -0.388 -3.595 161 HD2 TYR 23 HD2 TYR 23 9.555 -4.648 -3.416 162 HE1 TYR 23 HE1 TYR 23 10.617 -0.538 -5.961 163 HE2 TYR 23 HE2 TYR 23 10.263 -4.811 -5.781 164 HH TYR 23 HH TYR 23 11.628 -2.198 -7.477 165 H VAL 24 HN VAL 24 9.509 0.175 0.055 166 HA VAL 24 HA VAL 24 10.463 2.065 -1.938 167 HB VAL 24 HB VAL 24 9.575 2.643 0.904 168 1HG1 VAL 24 HG12 VAL 24 9.884 4.396 -1.552 169 2HG1 VAL 24 HG11 VAL 24 9.127 4.919 -0.048 170 3HG1 VAL 24 HG13 VAL 24 10.835 4.482 -0.069 171 1HG2 VAL 24 HG21 VAL 24 8.087 2.023 -1.588 172 2HG2 VAL 24 HG23 VAL 24 7.578 1.859 0.093 173 3HG2 VAL 24 HG22 VAL 24 7.512 3.432 -0.698 174 H SER 25 HN SER 25 11.502 1.042 1.303 175 HA SER 25 HA SER 25 13.624 2.874 1.666 176 1HB SER 25 HB2 SER 25 13.879 0.001 2.519 177 2HB SER 25 HB1 SER 25 14.445 1.450 3.344 178 HG SER 25 HG SER 25 12.164 2.009 3.538 179 H THR 26 HN THR 26 13.686 -0.290 0.015 180 HA THR 26 HA THR 26 16.507 -0.162 -0.633 181 HB THR 26 HB THR 26 14.244 -1.968 -1.524 182 HG1 THR 26 HG1 THR 26 16.539 -2.465 0.048 183 1HG2 THR 26 HG21 THR 26 17.082 -1.851 -2.473 184 2HG2 THR 26 HG23 THR 26 16.355 -3.437 -2.213 185 3HG2 THR 26 HG22 THR 26 15.625 -2.308 -3.354 186 H ARG 27 HN ARG 27 13.598 0.119 -2.679 187 HA ARG 27 HA ARG 27 14.948 0.664 -5.110 188 1HB ARG 27 HB2 ARG 27 12.508 0.028 -4.806 189 2HB ARG 27 HB1 ARG 27 12.212 1.710 -4.363 190 1HG ARG 27 HG2 ARG 27 11.881 1.974 -6.604 191 2HG ARG 27 HG1 ARG 27 13.641 2.054 -6.654 192 1HD ARG 27 HD2 ARG 27 12.682 -0.706 -6.659 193 2HD ARG 27 HD1 ARG 27 12.042 0.219 -8.017 194 HE ARG 27 HE ARG 27 14.879 0.670 -7.703 195 1HH1 ARG 27 HH11 ARG 27 13.916 -2.378 -7.755 196 2HH1 ARG 27 HH12 ARG 27 14.307 -2.743 -9.401 197 1HH2 ARG 27 HH21 ARG 27 14.775 0.574 -10.301 198 2HH2 ARG 27 HH22 ARG 27 14.795 -1.070 -10.844 199 H THR 28 HN THR 28 14.218 2.734 -2.400 200 HA THR 28 HA THR 28 14.790 5.160 -3.983 201 HB THR 28 HB THR 28 13.951 6.415 -2.081 202 HG1 THR 28 HG1 THR 28 13.253 5.213 -0.229 203 1HG2 THR 28 HG21 THR 28 12.352 3.976 -2.830 204 2HG2 THR 28 HG23 THR 28 11.700 5.257 -1.809 205 3HG2 THR 28 HG22 THR 28 12.203 5.615 -3.458 206 H CYS 29 HN CYS 29 15.955 4.028 -0.720 207 HA CYS 29 HA CYS 29 18.477 5.516 -1.265 208 1HB CYS 29 HB2 CYS 29 17.788 4.260 1.376 209 2HB CYS 29 HB1 CYS 29 18.825 5.646 1.049 210 H GLY 30 HN GLY 30 17.550 2.565 -1.962 211 1HA GLY 30 HA2 GLY 30 18.663 0.504 -2.269 212 2HA GLY 30 HA1 GLY 30 20.164 1.390 -1.996 213 H VAL 31 HN VAL 31 17.793 1.644 0.520 214 HA VAL 31 HA VAL 31 19.451 -0.089 2.295 215 HB VAL 31 HB VAL 31 17.355 1.989 3.018 216 1HG1 VAL 31 HG11 VAL 31 19.344 0.382 4.638 217 2HG1 VAL 31 HG13 VAL 31 18.540 1.823 5.262 218 3HG1 VAL 31 HG12 VAL 31 17.589 0.409 4.809 219 1HG2 VAL 31 HG23 VAL 31 19.347 2.963 1.900 220 2HG2 VAL 31 HG22 VAL 31 19.260 3.423 3.598 221 3HG2 VAL 31 HG21 VAL 31 20.383 2.166 3.082 222 H GLY 32 HN GLY 32 18.180 -1.386 3.946 223 1HA GLY 32 HA2 GLY 32 15.758 -2.171 4.414 224 2HA GLY 32 HA1 GLY 32 15.739 -2.475 2.672 225 HA PRO 33 HA PRO 33 17.535 -6.219 5.022 226 1HB PRO 33 HB2 PRO 33 15.700 -8.107 4.147 227 2HB PRO 33 HB1 PRO 33 15.592 -7.246 5.692 228 1HG PRO 33 HG2 PRO 33 14.090 -6.760 3.146 229 2HG PRO 33 HG1 PRO 33 13.553 -6.568 4.824 230 1HD PRO 33 HD2 PRO 33 14.266 -4.465 3.220 231 2HD PRO 33 HD1 PRO 33 14.385 -4.433 4.994 232 H ARG 34 HN ARG 34 18.295 -8.335 3.797 233 HA ARG 34 HA ARG 34 19.206 -7.457 1.133 234 1HB ARG 34 HB2 ARG 34 20.460 -8.772 3.232 235 2HB ARG 34 HB1 ARG 34 20.171 -10.066 2.070 236 1HG ARG 34 HG2 ARG 34 21.465 -9.046 0.410 237 2HG ARG 34 HG1 ARG 34 21.299 -7.444 1.128 238 1HD ARG 34 HD2 ARG 34 22.931 -7.843 2.734 239 2HD ARG 34 HD1 ARG 34 22.689 -9.590 2.692 240 HE ARG 34 HE ARG 34 23.964 -9.645 0.588 241 1HH1 ARG 34 HH11 ARG 34 23.662 -6.953 -0.484 242 2HH1 ARG 34 HH12 ARG 34 25.140 -6.167 -0.042 243 1HH2 ARG 34 HH21 ARG 34 25.974 -8.511 2.373 244 2HH2 ARG 34 HH22 ARG 34 26.449 -7.050 1.576 245 H LEU 35 HN LEU 35 17.235 -7.743 0.040 246 HA LEU 35 HA LEU 35 16.751 -10.533 -0.865 247 1HB LEU 35 HB2 LEU 35 14.544 -8.587 -0.107 248 2HB LEU 35 HB1 LEU 35 14.322 -10.217 -0.746 249 HG LEU 35 HG LEU 35 15.775 -9.588 1.838 250 1HD1 LEU 35 HD12 LEU 35 13.163 -9.184 1.582 251 2HD1 LEU 35 HD11 LEU 35 13.106 -10.939 1.738 252 3HD1 LEU 35 HD13 LEU 35 13.822 -9.962 3.021 253 1HD2 LEU 35 HD21 LEU 35 15.603 -11.936 0.181 254 2HD2 LEU 35 HD23 LEU 35 16.439 -11.739 1.720 255 3HD2 LEU 35 HD22 LEU 35 14.754 -12.253 1.693 256 H ALA 36 HN ALA 36 16.160 -10.622 -3.074 257 HA ALA 36 HA ALA 36 17.053 -8.535 -4.768 258 1HB ALA 36 HB3 ALA 36 15.608 -11.088 -5.104 259 2HB ALA 36 HB2 ALA 36 15.320 -9.908 -6.382 260 3HB ALA 36 HB1 ALA 36 16.964 -10.432 -6.019 261 H THR 37 HN THR 37 15.682 -7.279 -6.345 262 HA THR 37 HA THR 37 13.528 -5.892 -4.933 263 HB THR 37 HB THR 37 13.425 -4.783 -7.380 264 HG1 THR 37 HG1 THR 37 14.885 -6.066 -8.396 265 1HG2 THR 37 HG23 THR 37 15.143 -4.367 -4.996 266 2HG2 THR 37 HG22 THR 37 15.600 -3.482 -6.452 267 3HG2 THR 37 HG21 THR 37 13.991 -3.274 -5.761 268 H GLN 38 HN GLN 38 13.654 -7.610 -8.086 269 HA GLN 38 HA GLN 38 10.927 -7.516 -8.707 270 1HB GLN 38 HB2 GLN 38 13.210 -9.036 -9.566 271 2HB GLN 38 HB1 GLN 38 11.841 -10.133 -9.421 272 1HG GLN 38 HG2 GLN 38 11.198 -9.386 -11.452 273 2HG GLN 38 HG1 GLN 38 10.731 -7.892 -10.646 274 1HE2 GLN 38 HE22 GLN 38 12.953 -6.688 -13.277 275 2HE2 GLN 38 HE21 GLN 38 11.352 -7.208 -13.061 276 H GLU 39 HN GLU 39 12.531 -9.647 -6.400 277 HA GLU 39 HA GLU 39 10.283 -11.418 -5.975 278 1HB GLU 39 HB2 GLU 39 12.604 -10.789 -4.128 279 2HB GLU 39 HB1 GLU 39 11.545 -12.195 -4.029 280 1HG GLU 39 HG2 GLU 39 12.761 -11.816 -6.688 281 2HG GLU 39 HG1 GLU 39 13.932 -12.121 -5.405 282 H MET 40 HN MET 40 11.442 -8.468 -4.365 283 HA MET 40 HA MET 40 9.582 -8.472 -2.183 284 1HB MET 40 HB2 MET 40 11.734 -7.091 -2.618 285 2HB MET 40 HB1 MET 40 10.692 -6.012 -3.500 286 1HG MET 40 HG2 MET 40 9.486 -5.385 -1.596 287 2HG MET 40 HG1 MET 40 9.880 -6.876 -0.745 288 1HE MET 40 HE2 MET 40 10.312 -5.949 1.264 289 2HE MET 40 HE1 MET 40 11.786 -6.909 1.155 290 3HE MET 40 HE3 MET 40 11.845 -5.260 1.791 291 H LYS 41 HN LYS 41 9.627 -6.734 -5.269 292 HA LYS 41 HA LYS 41 7.088 -5.489 -5.164 293 1HB LYS 41 HB2 LYS 41 8.703 -4.989 -6.950 294 2HB LYS 41 HB1 LYS 41 8.542 -6.622 -7.586 295 1HG LYS 41 HG2 LYS 41 6.525 -6.177 -8.575 296 2HG LYS 41 HG1 LYS 41 6.013 -5.093 -7.283 297 1HD LYS 41 HD2 LYS 41 7.173 -3.263 -8.184 298 2HD LYS 41 HD1 LYS 41 8.242 -4.289 -9.141 299 1HE LYS 41 HE2 LYS 41 5.368 -4.575 -9.775 300 2HE LYS 41 HE1 LYS 41 6.055 -2.996 -10.154 301 1HZ LYS 41 HZ1 LYS 41 7.930 -4.314 -11.226 302 2HZ LYS 41 HZ3 LYS 41 6.885 -5.648 -11.155 303 3HZ LYS 41 HZ2 LYS 41 6.440 -4.271 -12.044 304 H ALA 42 HN ALA 42 7.982 -8.789 -6.112 305 HA ALA 42 HA ALA 42 5.428 -9.657 -7.069 306 1HB ALA 42 HB3 ALA 42 7.921 -10.962 -6.098 307 2HB ALA 42 HB2 ALA 42 6.455 -11.941 -6.050 308 3HB ALA 42 HB1 ALA 42 7.005 -11.252 -7.577 309 H ARG 43 HN ARG 43 6.906 -9.614 -3.850 310 HA ARG 43 HA ARG 43 4.859 -10.978 -2.420 311 1HB ARG 43 HB2 ARG 43 7.108 -9.175 -1.747 312 2HB ARG 43 HB1 ARG 43 5.801 -9.219 -0.566 313 1HG ARG 43 HG2 ARG 43 7.189 -10.978 0.136 314 2HG ARG 43 HG1 ARG 43 5.972 -11.809 -0.835 315 1HD ARG 43 HD2 ARG 43 7.476 -11.758 -2.782 316 2HD ARG 43 HD1 ARG 43 8.692 -10.908 -1.829 317 HE ARG 43 HE ARG 43 7.799 -13.706 -1.251 318 1HH1 ARG 43 HH11 ARG 43 9.597 -11.291 0.130 319 2HH1 ARG 43 HH12 ARG 43 11.091 -12.167 0.191 320 1HH2 ARG 43 HH21 ARG 43 9.940 -14.788 -1.766 321 2HH2 ARG 43 HH22 ARG 43 11.285 -14.148 -0.882 322 H CYS 44 HN CYS 44 5.273 -7.487 -3.134 323 HA CYS 44 HA CYS 44 2.973 -6.582 -1.702 324 1HB CYS 44 HB2 CYS 44 4.555 -5.427 -3.968 325 2HB CYS 44 HB1 CYS 44 3.031 -4.683 -3.467 326 H CYS 45 HN CYS 45 3.353 -7.826 -5.037 327 HA CYS 45 HA CYS 45 0.668 -7.135 -5.882 328 1HB CYS 45 HB2 CYS 45 2.699 -9.110 -6.965 329 2HB CYS 45 HB1 CYS 45 1.125 -8.855 -7.706 330 H ARG 46 HN ARG 46 2.095 -9.851 -4.185 331 HA ARG 46 HA ARG 46 -0.193 -11.624 -4.476 332 1HB ARG 46 HB2 ARG 46 2.277 -12.160 -3.803 333 2HB ARG 46 HB1 ARG 46 1.750 -11.765 -2.182 334 1HG ARG 46 HG2 ARG 46 0.522 -13.651 -1.966 335 2HG ARG 46 HG1 ARG 46 -0.107 -13.542 -3.610 336 1HD ARG 46 HD2 ARG 46 2.311 -14.223 -4.320 337 2HD ARG 46 HD1 ARG 46 2.463 -14.781 -2.654 338 HE ARG 46 HE ARG 46 1.030 -16.148 -4.722 339 1HH1 ARG 46 HH11 ARG 46 -1.353 -15.449 -3.204 340 2HH1 ARG 46 HH12 ARG 46 -1.416 -16.652 -1.961 341 1HH2 ARG 46 HH21 ARG 46 1.894 -17.608 -2.345 342 2HH2 ARG 46 HH22 ARG 46 0.420 -17.874 -1.475 343 H GLN 47 HN GLN 47 0.847 -9.128 -2.227 344 HA GLN 47 HA GLN 47 -1.195 -9.697 -0.220 345 1HB GLN 47 HB2 GLN 47 0.430 -7.173 -0.654 346 2HB GLN 47 HB1 GLN 47 -0.456 -7.605 0.808 347 1HG GLN 47 HG2 GLN 47 1.270 -9.798 0.124 348 2HG GLN 47 HG1 GLN 47 2.221 -8.315 0.096 349 1HE2 GLN 47 HE22 GLN 47 2.517 -8.553 3.599 350 2HE2 GLN 47 HE21 GLN 47 3.305 -8.424 2.101 351 H LEU 48 HN LEU 48 -0.954 -7.693 -3.088 352 HA LEU 48 HA LEU 48 -3.312 -6.087 -2.531 353 1HB LEU 48 HB2 LEU 48 -1.325 -5.515 -4.082 354 2HB LEU 48 HB1 LEU 48 -2.113 -6.563 -5.260 355 HG LEU 48 HG LEU 48 -4.072 -4.774 -4.098 356 1HD1 LEU 48 HD11 LEU 48 -1.645 -3.541 -4.036 357 2HD1 LEU 48 HD13 LEU 48 -2.164 -3.146 -5.676 358 3HD1 LEU 48 HD12 LEU 48 -3.167 -2.691 -4.299 359 1HD2 LEU 48 HD22 LEU 48 -3.048 -5.610 -6.758 360 2HD2 LEU 48 HD21 LEU 48 -4.709 -5.480 -6.182 361 3HD2 LEU 48 HD23 LEU 48 -3.841 -4.036 -6.704 362 H GLU 49 HN GLU 49 -2.597 -9.041 -4.350 363 HA GLU 49 HA GLU 49 -5.253 -9.268 -5.506 364 1HB GLU 49 HB2 GLU 49 -2.794 -10.956 -5.368 365 2HB GLU 49 HB1 GLU 49 -4.320 -11.800 -5.633 366 1HG GLU 49 HG2 GLU 49 -4.641 -9.775 -7.383 367 2HG GLU 49 HG1 GLU 49 -2.881 -9.890 -7.403 368 H ALA 50 HN ALA 50 -3.626 -10.471 -2.594 369 HA ALA 50 HA ALA 50 -5.685 -12.271 -1.707 370 1HB ALA 50 HB1 ALA 50 -3.202 -11.655 -0.783 371 2HB ALA 50 HB3 ALA 50 -4.187 -10.733 0.353 372 3HB ALA 50 HB2 ALA 50 -4.415 -12.475 0.200 373 H ILE 51 HN ILE 51 -4.955 -8.902 -0.878 374 HA ILE 51 HA ILE 51 -7.353 -8.345 0.595 375 HB ILE 51 HB ILE 51 -5.482 -6.495 -0.926 376 1HG1 ILE 51 HG12 ILE 51 -4.420 -7.774 0.910 377 2HG1 ILE 51 HG11 ILE 51 -4.522 -6.060 1.302 378 1HG2 ILE 51 HG23 ILE 51 -7.796 -5.558 -0.467 379 2HG2 ILE 51 HG22 ILE 51 -7.462 -5.764 1.251 380 3HG2 ILE 51 HG21 ILE 51 -6.477 -4.665 0.288 381 1HD1 ILE 51 HD13 ILE 51 -6.937 -7.218 2.222 382 2HD1 ILE 51 HD12 ILE 51 -5.647 -8.312 2.720 383 3HD1 ILE 51 HD11 ILE 51 -5.600 -6.616 3.201 384 HA PRO 52 HA PRO 52 -9.731 -8.807 -3.239 385 1HB PRO 52 HB2 PRO 52 -12.208 -8.361 -2.088 386 2HB PRO 52 HB1 PRO 52 -11.389 -9.932 -2.149 387 1HG PRO 52 HG2 PRO 52 -11.595 -7.998 0.140 388 2HG PRO 52 HG1 PRO 52 -11.573 -9.772 0.167 389 1HD PRO 52 HD2 PRO 52 -9.373 -8.239 0.801 390 2HD PRO 52 HD1 PRO 52 -9.255 -9.875 0.118 391 H ALA 53 HN ALA 53 -10.727 -7.371 -4.664 392 HA ALA 53 HA ALA 53 -9.924 -4.770 -4.866 393 1HB ALA 53 HB1 ALA 53 -11.282 -6.190 -6.517 394 2HB ALA 53 HB3 ALA 53 -12.708 -5.527 -5.720 395 3HB ALA 53 HB2 ALA 53 -11.567 -4.450 -6.526 396 H TYR 54 HN TYR 54 -12.645 -5.864 -2.914 397 HA TYR 54 HA TYR 54 -13.622 -3.182 -2.322 398 1HB TYR 54 HB2 TYR 54 -14.342 -5.928 -1.629 399 2HB TYR 54 HB1 TYR 54 -14.399 -4.877 -0.214 400 HD1 TYR 54 HD1 TYR 54 -15.319 -2.348 -1.026 401 HD2 TYR 54 HD2 TYR 54 -16.430 -6.175 -2.632 402 HE1 TYR 54 HE1 TYR 54 -17.463 -1.390 -1.823 403 HE2 TYR 54 HE2 TYR 54 -18.573 -5.216 -3.430 404 HH TYR 54 HH TYR 54 -19.503 -3.024 -4.014 405 H CYS 55 HN CYS 55 -12.570 -1.779 -1.021 406 HA CYS 55 HA CYS 55 -11.272 -0.929 0.746 407 1HB CYS 55 HB2 CYS 55 -10.941 -3.763 1.764 408 2HB CYS 55 HB1 CYS 55 -10.792 -2.258 2.667 409 H ARG 56 HN ARG 56 -10.201 -2.766 -1.781 410 HA ARG 56 HA ARG 56 -7.615 -3.684 -1.214 411 1HB ARG 56 HB2 ARG 56 -9.067 -2.841 -3.593 412 2HB ARG 56 HB1 ARG 56 -7.370 -2.383 -3.708 413 1HG ARG 56 HG2 ARG 56 -6.932 -4.831 -2.860 414 2HG ARG 56 HG1 ARG 56 -8.565 -5.125 -3.454 415 1HD ARG 56 HD2 ARG 56 -7.623 -3.807 -5.582 416 2HD ARG 56 HD1 ARG 56 -6.089 -4.426 -4.975 417 HE ARG 56 HE ARG 56 -7.427 -6.718 -5.009 418 1HH1 ARG 56 HH11 ARG 56 -9.268 -4.674 -6.728 419 2HH1 ARG 56 HH12 ARG 56 -9.009 -5.388 -8.284 420 1HH2 ARG 56 HH21 ARG 56 -6.387 -7.394 -7.226 421 2HH2 ARG 56 HH22 ARG 56 -7.377 -6.922 -8.567 422 H CYS 57 HN CYS 57 -7.684 -0.613 -3.052 423 HA CYS 57 HA CYS 57 -5.311 0.502 -2.296 424 1HB CYS 57 HB2 CYS 57 -7.925 2.024 -2.471 425 2HB CYS 57 HB1 CYS 57 -6.319 2.743 -2.596 426 H GLU 58 HN GLU 58 -8.220 0.789 -0.128 427 HA GLU 58 HA GLU 58 -7.420 2.518 1.810 428 1HB GLU 58 HB2 GLU 58 -8.975 0.006 1.838 429 2HB GLU 58 HB1 GLU 58 -8.387 0.540 3.413 430 1HG GLU 58 HG2 GLU 58 -9.397 2.750 3.065 431 2HG GLU 58 HG1 GLU 58 -9.943 2.264 1.460 432 H ALA 59 HN ALA 59 -6.275 -0.918 1.768 433 HA ALA 59 HA ALA 59 -4.764 -1.078 4.058 434 1HB ALA 59 HB1 ALA 59 -4.958 -2.656 1.919 435 2HB ALA 59 HB3 ALA 59 -3.372 -1.962 1.581 436 3HB ALA 59 HB2 ALA 59 -3.648 -2.840 3.086 437 H VAL 60 HN VAL 60 -3.540 0.355 1.037 438 HA VAL 60 HA VAL 60 -0.986 1.159 2.003 439 HB VAL 60 HB VAL 60 -2.690 2.619 -0.042 440 1HG1 VAL 60 HG11 VAL 60 0.178 2.681 0.791 441 2HG1 VAL 60 HG13 VAL 60 -0.179 2.857 -0.926 442 3HG1 VAL 60 HG12 VAL 60 -0.857 3.996 0.235 443 1HG2 VAL 60 HG23 VAL 60 -1.277 0.010 -0.094 444 2HG2 VAL 60 HG22 VAL 60 -2.624 0.579 -1.079 445 3HG2 VAL 60 HG21 VAL 60 -0.975 1.062 -1.476 446 H ARG 61 HN ARG 61 -4.103 2.880 1.959 447 HA ARG 61 HA ARG 61 -3.277 5.332 3.130 448 1HB ARG 61 HB2 ARG 61 -5.523 4.855 2.090 449 2HB ARG 61 HB1 ARG 61 -5.939 3.934 3.533 450 1HG ARG 61 HG2 ARG 61 -6.635 5.863 4.469 451 2HG ARG 61 HG1 ARG 61 -4.950 6.379 4.511 452 1HD ARG 61 HD2 ARG 61 -5.175 7.345 2.260 453 2HD ARG 61 HD1 ARG 61 -6.848 6.796 2.180 454 HE ARG 61 HE ARG 61 -7.350 8.388 4.029 455 1HH1 ARG 61 HH11 ARG 61 -5.400 9.297 1.527 456 2HH1 ARG 61 HH12 ARG 61 -4.667 10.651 2.323 457 1HH2 ARG 61 HH21 ARG 61 -5.950 9.850 5.442 458 2HH2 ARG 61 HH22 ARG 61 -4.978 10.963 4.538 459 H ILE 62 HN ILE 62 -3.885 2.191 4.551 460 HA ILE 62 HA ILE 62 -3.995 3.140 7.307 461 HB ILE 62 HB ILE 62 -3.928 0.438 5.953 462 1HG1 ILE 62 HG12 ILE 62 -5.970 0.391 7.726 463 2HG1 ILE 62 HG11 ILE 62 -5.852 2.128 7.454 464 1HG2 ILE 62 HG23 ILE 62 -3.114 1.012 8.756 465 2HG2 ILE 62 HG22 ILE 62 -4.269 -0.305 8.542 466 3HG2 ILE 62 HG21 ILE 62 -2.707 -0.360 7.723 467 1HD1 ILE 62 HD13 ILE 62 -5.723 0.428 5.026 468 2HD1 ILE 62 HD12 ILE 62 -7.279 0.473 5.854 469 3HD1 ILE 62 HD11 ILE 62 -6.542 1.969 5.281 470 H LEU 63 HN LEU 63 -1.484 1.980 5.117 471 HA LEU 63 HA LEU 63 0.443 1.668 7.276 472 1HB LEU 63 HB2 LEU 63 0.536 0.458 5.025 473 2HB LEU 63 HB1 LEU 63 1.100 1.982 4.339 474 HG LEU 63 HG LEU 63 2.484 1.012 6.793 475 1HD1 LEU 63 HD13 LEU 63 2.348 -0.496 4.250 476 2HD1 LEU 63 HD12 LEU 63 3.978 -0.198 4.849 477 3HD1 LEU 63 HD11 LEU 63 2.809 -1.043 5.861 478 1HD2 LEU 63 HD23 LEU 63 2.861 3.089 5.063 479 2HD2 LEU 63 HD22 LEU 63 4.151 2.380 6.032 480 3HD2 LEU 63 HD21 LEU 63 3.934 1.883 4.354 481 H MET 64 HN MET 64 -0.247 4.174 4.889 482 HA MET 64 HA MET 64 1.945 5.873 5.771 483 1HB MET 64 HB2 MET 64 0.916 5.870 3.437 484 2HB MET 64 HB1 MET 64 -0.480 6.696 4.132 485 1HG MET 64 HG2 MET 64 1.947 8.001 5.005 486 2HG MET 64 HG1 MET 64 1.939 7.868 3.247 487 1HE MET 64 HE3 MET 64 -0.223 7.771 2.144 488 2HE MET 64 HE2 MET 64 -1.722 8.553 2.640 489 3HE MET 64 HE1 MET 64 -0.516 9.468 1.738 490 H ASP 65 HN ASP 65 -1.631 6.090 6.021 491 HA ASP 65 HA ASP 65 -1.403 8.285 7.946 492 1HB ASP 65 HB2 ASP 65 -3.810 6.942 6.668 493 2HB ASP 65 HB1 ASP 65 -3.987 7.960 8.094 494 H GLY 66 HN GLY 66 -1.638 4.825 8.154 495 1HA GLY 66 HA2 GLY 66 -1.311 3.554 10.147 496 2HA GLY 66 HA1 GLY 66 -1.561 5.021 11.097 497 H VAL 67 HN VAL 67 -2.834 2.326 11.311 498 HA VAL 67 HA VAL 67 -5.701 3.121 10.964 499 HB VAL 67 HB VAL 67 -5.130 1.242 9.533 500 1HG1 VAL 67 HG12 VAL 67 -4.184 -0.058 12.102 501 2HG1 VAL 67 HG11 VAL 67 -4.357 -0.903 10.563 502 3HG1 VAL 67 HG13 VAL 67 -3.178 0.397 10.726 503 1HG2 VAL 67 HG23 VAL 67 -7.346 1.296 10.750 504 2HG2 VAL 67 HG22 VAL 67 -6.828 -0.309 10.235 505 3HG2 VAL 67 HG21 VAL 67 -6.649 0.175 11.921 506 H VAL 68 HN VAL 68 -7.176 2.241 12.619 507 HA VAL 68 HA VAL 68 -5.817 2.004 15.263 508 HB VAL 68 HB VAL 68 -8.457 3.295 14.520 509 1HG1 VAL 68 HG11 VAL 68 -7.332 2.760 17.297 510 2HG1 VAL 68 HG13 VAL 68 -8.761 3.730 16.943 511 3HG1 VAL 68 HG12 VAL 68 -8.768 1.999 16.613 512 1HG2 VAL 68 HG21 VAL 68 -5.754 4.157 15.452 513 2HG2 VAL 68 HG23 VAL 68 -6.815 4.908 14.262 514 3HG2 VAL 68 HG22 VAL 68 -7.149 5.096 15.984 515 H THR 69 HN THR 69 -6.881 0.696 16.831 516 HA THR 69 HA THR 69 -8.340 -1.611 15.667 517 HB THR 69 HB THR 69 -7.243 -2.980 17.432 518 HG1 THR 69 HG1 THR 69 -5.806 -2.089 18.759 519 1HG2 THR 69 HG23 THR 69 -6.222 -2.222 15.046 520 2HG2 THR 69 HG22 THR 69 -4.952 -1.626 16.116 521 3HG2 THR 69 HG21 THR 69 -5.393 -3.333 16.135 522 H SER 70 HN SER 70 -9.725 -2.733 17.136 523 HA SER 70 HA SER 70 -11.612 -1.059 18.430 524 1HB SER 70 HB2 SER 70 -12.137 -3.261 17.429 525 2HB SER 70 HB1 SER 70 -11.197 -4.044 18.696 526 HG SER 70 HG SER 70 -13.290 -4.050 19.389 527 H SER 71 HN SER 71 -8.893 -2.857 19.609 528 HA SER 71 HA SER 71 -9.497 -2.715 22.425 529 1HB SER 71 HB2 SER 71 -6.938 -3.090 22.596 530 2HB SER 71 HB1 SER 71 -7.907 -4.351 21.841 531 HG SER 71 HG SER 71 -6.136 -2.501 20.709 532 H GLY 72 HN GLY 72 -8.352 -0.371 20.168 533 1HA GLY 72 HA2 GLY 72 -8.286 2.005 20.763 534 2HA GLY 72 HA1 GLY 72 -7.835 1.525 22.401 535 H GLN 73 HN GLN 73 -6.163 -0.380 20.105 536 HA GLN 73 HA GLN 73 -3.678 1.206 20.579 537 1HB GLN 73 HB2 GLN 73 -4.007 -1.627 19.539 538 2HB GLN 73 HB1 GLN 73 -2.489 -0.850 19.987 539 1HG GLN 73 HG2 GLN 73 -2.908 -1.011 22.246 540 2HG GLN 73 HG1 GLN 73 -4.651 -0.869 22.039 541 1HE2 GLN 73 HE22 GLN 73 -3.938 -4.392 23.031 542 2HE2 GLN 73 HE21 GLN 73 -3.733 -2.865 23.743 543 H HIS 74 HN HIS 74 -2.196 1.525 18.716 544 HA HIS 74 HA HIS 74 -3.684 1.695 16.125 545 1HB HIS 74 HB2 HIS 74 -1.538 3.401 17.365 546 2HB HIS 74 HB1 HIS 74 -1.838 3.430 15.647 547 HD1 HIS 74 HD1 HIS 74 -2.904 5.710 15.425 548 HD2 HIS 74 HD2 HIS 74 -4.737 3.392 18.362 549 HE1 HIS 74 HE1 HIS 74 -4.948 6.998 16.181 550 H GLU 75 HN GLU 75 -2.423 1.229 14.217 551 HA GLU 75 HA GLU 75 0.156 -0.160 14.617 552 1HB GLU 75 HB2 GLU 75 -2.056 -1.378 12.954 553 2HB GLU 75 HB1 GLU 75 -0.507 -2.103 13.384 554 1HG GLU 75 HG2 GLU 75 -1.485 -1.551 15.860 555 2HG GLU 75 HG1 GLU 75 -2.985 -1.864 14.989 556 H GLY 76 HN GLY 76 0.821 -0.936 12.201 557 1HA GLY 76 HA2 GLY 76 1.682 -0.158 10.162 558 2HA GLY 76 HA1 GLY 76 0.121 0.644 9.953 559 H ARG 77 HN ARG 77 0.920 2.604 9.175 560 HA ARG 77 HA ARG 77 1.830 4.773 9.298 561 1HB ARG 77 HB2 ARG 77 0.344 4.486 11.455 562 2HB ARG 77 HB1 ARG 77 1.900 4.517 12.284 563 1HG ARG 77 HG2 ARG 77 1.605 6.610 10.229 564 2HG ARG 77 HG1 ARG 77 0.460 6.751 11.560 565 1HD ARG 77 HD2 ARG 77 3.083 6.113 12.597 566 2HD ARG 77 HD1 ARG 77 3.176 7.532 11.555 567 HE ARG 77 HE ARG 77 1.147 7.400 13.741 568 1HH1 ARG 77 HH21 ARG 77 1.003 9.880 12.356 569 2HH1 ARG 77 HH22 ARG 77 2.159 10.903 13.143 570 1HH2 ARG 77 HH11 ARG 77 3.851 8.276 14.649 571 2HH2 ARG 77 HH12 ARG 77 3.774 9.994 14.441 572 H LEU 78 HN LEU 78 3.674 2.272 9.535 573 HA LEU 78 HA LEU 78 5.909 3.130 11.173 574 1HB LEU 78 HB2 LEU 78 5.338 0.847 9.341 575 2HB LEU 78 HB1 LEU 78 7.033 1.254 9.613 576 HG LEU 78 HG LEU 78 6.472 1.267 12.113 577 1HD1 LEU 78 HD11 LEU 78 3.888 0.475 10.919 578 2HD1 LEU 78 HD13 LEU 78 4.418 -0.546 12.255 579 3HD1 LEU 78 HD12 LEU 78 4.230 1.190 12.493 580 1HD2 LEU 78 HD23 LEU 78 6.611 -1.099 10.291 581 2HD2 LEU 78 HD22 LEU 78 7.743 -0.576 11.538 582 3HD2 LEU 78 HD21 LEU 78 6.250 -1.398 11.992 583 H LEU 79 HN LEU 79 4.847 3.924 7.972 584 HA LEU 79 HA LEU 79 7.322 4.427 6.665 585 1HB LEU 79 HB2 LEU 79 4.604 4.782 6.094 586 2HB LEU 79 HB1 LEU 79 5.257 6.418 6.076 587 HG LEU 79 HG LEU 79 7.039 5.664 4.516 588 1HD1 LEU 79 HD12 LEU 79 5.806 3.050 5.141 589 2HD1 LEU 79 HD11 LEU 79 6.161 3.307 3.433 590 3HD1 LEU 79 HD13 LEU 79 7.451 3.425 4.630 591 1HD2 LEU 79 HD21 LEU 79 4.634 6.466 3.849 592 2HD2 LEU 79 HD23 LEU 79 5.675 5.765 2.610 593 3HD2 LEU 79 HD22 LEU 79 4.405 4.790 3.350 594 H GLN 80 HN GLN 80 8.775 5.345 8.156 595 HA GLN 80 HA GLN 80 8.254 8.202 8.877 596 1HB GLN 80 HB2 GLN 80 9.694 6.167 10.607 597 2HB GLN 80 HB1 GLN 80 9.371 7.852 11.017 598 1HG GLN 80 HG2 GLN 80 7.070 6.068 10.292 599 2HG GLN 80 HG1 GLN 80 7.776 5.942 11.903 600 1HE2 GLN 80 HE22 GLN 80 5.107 8.754 11.470 601 2HE2 GLN 80 HE21 GLN 80 5.150 7.240 10.705 602 H ASP 81 HN ASP 81 10.516 9.035 9.770 603 HA ASP 81 HA ASP 81 12.237 9.172 7.488 604 1HB ASP 81 HB2 ASP 81 12.688 10.062 10.358 605 2HB ASP 81 HB1 ASP 81 13.736 10.463 8.992 606 H LEU 82 HN LEU 82 13.213 7.360 6.895 607 HA LEU 82 HA LEU 82 14.614 5.570 8.778 608 1HB LEU 82 HB2 LEU 82 13.975 5.544 5.830 609 2HB LEU 82 HB1 LEU 82 15.212 4.470 6.450 610 HG LEU 82 HG LEU 82 12.446 4.608 7.663 611 1HD1 LEU 82 HD12 LEU 82 12.763 3.882 5.092 612 2HD1 LEU 82 HD11 LEU 82 13.214 2.359 5.860 613 3HD1 LEU 82 HD13 LEU 82 11.626 3.064 6.164 614 1HD2 LEU 82 HD23 LEU 82 14.660 2.531 7.701 615 2HD2 LEU 82 HD22 LEU 82 14.203 3.581 9.042 616 3HD2 LEU 82 HD21 LEU 82 13.085 2.343 8.471 617 HA PRO 83 HA PRO 83 18.555 7.452 8.131 618 1HB PRO 83 HB2 PRO 83 20.277 5.370 7.570 619 2HB PRO 83 HB1 PRO 83 19.674 5.755 9.192 620 1HG PRO 83 HG2 PRO 83 18.836 3.562 7.339 621 2HG PRO 83 HG1 PRO 83 18.837 3.595 9.111 622 1HD PRO 83 HD2 PRO 83 16.571 3.918 7.527 623 2HD PRO 83 HD1 PRO 83 16.698 4.450 9.211 624 H GLY 84 HN GLY 84 18.280 8.691 6.310 625 1HA GLY 84 HA2 GLY 84 19.254 9.342 4.205 626 2HA GLY 84 HA1 GLY 84 19.433 7.641 3.777 627 H CYS 85 HN CYS 85 16.325 7.975 5.085 628 HA CYS 85 HA CYS 85 15.124 8.700 2.452 629 1HB CYS 85 HB2 CYS 85 13.962 6.467 4.098 630 2HB CYS 85 HB1 CYS 85 13.753 6.796 2.384 631 HA PRO 86 HA PRO 86 13.047 10.970 5.898 632 1HB PRO 86 HB2 PRO 86 12.380 13.184 4.380 633 2HB PRO 86 HB1 PRO 86 13.890 13.014 5.264 634 1HG PRO 86 HG2 PRO 86 13.385 12.751 2.343 635 2HG PRO 86 HG1 PRO 86 14.867 13.244 3.180 636 1HD PRO 86 HD2 PRO 86 14.429 10.728 2.049 637 2HD PRO 86 HD1 PRO 86 15.665 11.088 3.270 638 H ARG 87 HN ARG 87 10.752 11.653 6.149 639 HA ARG 87 HA ARG 87 8.785 10.010 5.076 640 1HB ARG 87 HB2 ARG 87 8.485 12.927 5.841 641 2HB ARG 87 HB1 ARG 87 7.193 11.742 5.763 642 1HG ARG 87 HG2 ARG 87 9.193 10.608 7.409 643 2HG ARG 87 HG1 ARG 87 9.036 12.289 7.914 644 1HD ARG 87 HD2 ARG 87 7.473 10.701 9.112 645 2HD ARG 87 HD1 ARG 87 6.675 12.033 8.297 646 HE ARG 87 HE ARG 87 6.897 9.441 6.862 647 1HH1 ARG 87 HH11 ARG 87 4.946 10.727 9.239 648 2HH1 ARG 87 HH12 ARG 87 3.471 10.651 8.332 649 1HH2 ARG 87 HH21 ARG 87 5.029 9.822 5.351 650 2HH2 ARG 87 HH22 ARG 87 3.519 10.141 6.136 651 H GLN 88 HN GLN 88 10.247 12.896 3.733 652 HA GLN 88 HA GLN 88 8.304 13.619 1.787 653 1HB GLN 88 HB2 GLN 88 11.244 14.048 2.081 654 2HB GLN 88 HB1 GLN 88 10.482 14.463 0.544 655 1HG GLN 88 HG2 GLN 88 10.424 16.429 1.950 656 2HG GLN 88 HG1 GLN 88 8.780 15.798 1.837 657 1HE2 GLN 88 HE22 GLN 88 10.805 15.135 5.366 658 2HE2 GLN 88 HE21 GLN 88 11.675 15.147 3.909 659 H VAL 89 HN VAL 89 11.129 11.408 1.366 660 HA VAL 89 HA VAL 89 10.599 10.875 -1.401 661 HB VAL 89 HB VAL 89 12.098 9.248 0.662 662 1HG1 VAL 89 HG11 VAL 89 11.763 9.092 -2.300 663 2HG1 VAL 89 HG13 VAL 89 13.376 8.793 -1.653 664 3HG1 VAL 89 HG12 VAL 89 12.019 7.794 -1.134 665 1HG2 VAL 89 HG22 VAL 89 12.877 11.521 -1.145 666 2HG2 VAL 89 HG21 VAL 89 12.981 11.449 0.614 667 3HG2 VAL 89 HG23 VAL 89 14.054 10.457 -0.374 668 H GLN 90 HN GLN 90 9.705 9.273 1.610 669 HA GLN 90 HA GLN 90 8.460 6.973 0.400 670 1HB GLN 90 HB2 GLN 90 8.507 8.217 3.102 671 2HB GLN 90 HB1 GLN 90 7.118 7.189 2.742 672 1HG GLN 90 HG2 GLN 90 8.838 5.782 3.694 673 2HG GLN 90 HG1 GLN 90 8.738 5.412 1.972 674 1HE2 GLN 90 HE22 GLN 90 12.041 7.402 3.398 675 2HE2 GLN 90 HE21 GLN 90 10.611 7.403 4.312 676 H ARG 91 HN ARG 91 7.428 10.264 0.965 677 HA ARG 91 HA ARG 91 4.583 9.722 0.558 678 1HB ARG 91 HB2 ARG 91 5.886 11.780 1.738 679 2HB ARG 91 HB1 ARG 91 5.611 12.476 0.141 680 1HG ARG 91 HG2 ARG 91 3.636 13.061 1.228 681 2HG ARG 91 HG1 ARG 91 3.173 11.535 0.473 682 1HD ARG 91 HD2 ARG 91 3.669 10.335 2.563 683 2HD ARG 91 HD1 ARG 91 4.166 11.848 3.323 684 HE ARG 91 HE ARG 91 1.376 11.102 2.615 685 1HH1 ARG 91 HH11 ARG 91 3.354 13.827 3.134 686 2HH1 ARG 91 HH12 ARG 91 2.301 14.560 4.297 687 1HH2 ARG 91 HH21 ARG 91 0.144 11.853 4.460 688 2HH2 ARG 91 HH22 ARG 91 0.489 13.446 5.044 689 H ALA 92 HN ALA 92 7.307 10.791 -1.440 690 HA ALA 92 HA ALA 92 5.747 11.516 -3.759 691 1HB ALA 92 HB2 ALA 92 8.648 10.808 -3.319 692 2HB ALA 92 HB1 ALA 92 8.016 11.134 -4.933 693 3HB ALA 92 HB3 ALA 92 7.951 12.384 -3.690 694 H PHE 93 HN PHE 93 7.518 8.581 -2.829 695 HA PHE 93 HA PHE 93 6.677 7.069 -5.177 696 1HB PHE 93 HB2 PHE 93 8.810 6.537 -4.131 697 2HB PHE 93 HB1 PHE 93 8.016 6.236 -2.588 698 HD1 PHE 93 HD2 PHE 93 6.530 4.254 -2.294 699 HD2 PHE 93 HD1 PHE 93 8.762 4.905 -5.904 700 HE1 PHE 93 HE2 PHE 93 6.130 1.901 -2.964 701 HE2 PHE 93 HE1 PHE 93 8.359 2.553 -6.577 702 HZ PHE 93 HZ PHE 93 7.043 1.049 -5.107 703 H ALA 94 HN ALA 94 5.447 7.603 -1.951 704 HA ALA 94 HA ALA 94 3.994 5.406 -1.267 705 1HB ALA 94 HB2 ALA 94 3.646 8.300 -0.881 706 2HB ALA 94 HB1 ALA 94 2.149 7.382 -0.722 707 3HB ALA 94 HB3 ALA 94 3.537 6.988 0.291 708 HA PRO 95 HA PRO 95 0.326 6.432 -4.162 709 1HB PRO 95 HB2 PRO 95 0.738 8.292 -6.157 710 2HB PRO 95 HB1 PRO 95 0.026 8.670 -4.579 711 1HG PRO 95 HG2 PRO 95 2.768 9.258 -5.591 712 2HG PRO 95 HG1 PRO 95 1.813 10.114 -4.368 713 1HD PRO 95 HD2 PRO 95 3.917 8.337 -3.839 714 2HD PRO 95 HD1 PRO 95 2.729 8.879 -2.650 715 H LYS 96 HN LYS 96 0.120 6.294 -6.861 716 HA LYS 96 HA LYS 96 0.711 5.048 -8.763 717 1HB LYS 96 HB2 LYS 96 3.253 6.024 -7.699 718 2HB LYS 96 HB1 LYS 96 3.442 4.464 -8.491 719 1HG LYS 96 HG2 LYS 96 3.745 6.282 -10.110 720 2HG LYS 96 HG1 LYS 96 2.294 5.359 -10.499 721 1HD LYS 96 HD2 LYS 96 0.866 7.064 -9.844 722 2HD LYS 96 HD1 LYS 96 2.029 7.739 -8.701 723 1HE LYS 96 HE2 LYS 96 2.812 7.771 -11.572 724 2HE LYS 96 HE1 LYS 96 1.528 8.880 -11.089 725 1HZ LYS 96 HZ3 LYS 96 4.131 8.660 -9.683 726 2HZ LYS 96 HZ2 LYS 96 3.809 9.803 -10.898 727 3HZ LYS 96 HZ1 LYS 96 2.932 9.835 -9.444 728 H LEU 97 HN LEU 97 0.271 3.861 -5.899 729 HA LEU 97 HA LEU 97 1.739 1.358 -5.885 730 1HB LEU 97 HB2 LEU 97 -0.057 0.666 -4.166 731 2HB LEU 97 HB1 LEU 97 1.045 1.969 -3.748 732 HG LEU 97 HG LEU 97 -1.279 3.041 -5.115 733 1HD1 LEU 97 HD12 LEU 97 -1.811 0.852 -3.270 734 2HD1 LEU 97 HD11 LEU 97 -2.519 2.362 -2.695 735 3HD1 LEU 97 HD13 LEU 97 -2.931 1.748 -4.295 736 1HD2 LEU 97 HD21 LEU 97 0.358 3.508 -2.721 737 2HD2 LEU 97 HD23 LEU 97 -0.417 4.664 -3.799 738 3HD2 LEU 97 HD22 LEU 97 -1.339 3.924 -2.495 739 H VAL 98 HN VAL 98 -1.862 1.770 -6.376 740 HA VAL 98 HA VAL 98 -1.960 -0.891 -7.619 741 HB VAL 98 HB VAL 98 -4.370 -0.482 -7.707 742 1HG1 VAL 98 HG11 VAL 98 -2.794 -0.014 -5.223 743 2HG1 VAL 98 HG13 VAL 98 -4.552 0.088 -5.150 744 3HG1 VAL 98 HG12 VAL 98 -3.777 -1.403 -5.684 745 1HG2 VAL 98 HG22 VAL 98 -3.784 2.167 -7.917 746 2HG2 VAL 98 HG21 VAL 98 -5.351 1.572 -7.376 747 3HG2 VAL 98 HG23 VAL 98 -4.142 2.070 -6.195 748 H THR 99 HN THR 99 -0.551 1.402 -8.955 749 HA THR 99 HA THR 99 -2.161 1.807 -11.389 750 HB THR 99 HB THR 99 -0.482 3.485 -11.988 751 HG1 THR 99 HG1 THR 99 1.404 3.641 -10.927 752 1HG2 THR 99 HG23 THR 99 -2.222 3.894 -10.126 753 2HG2 THR 99 HG22 THR 99 -0.843 3.806 -9.030 754 3HG2 THR 99 HG21 THR 99 -0.891 5.037 -10.292 755 H GLU 100 HN GLU 100 -0.693 1.606 -13.535 756 HA GLU 100 HA GLU 100 0.164 -1.112 -13.716 757 1HB GLU 100 HB2 GLU 100 -0.554 0.528 -15.579 758 2HB GLU 100 HB1 GLU 100 1.127 1.057 -15.574 759 1HG GLU 100 HG2 GLU 100 0.825 -1.872 -15.597 760 2HG GLU 100 HG1 GLU 100 0.140 -1.084 -17.017 761 H VAL 101 HN VAL 101 1.885 1.294 -11.997 762 HA VAL 101 HA VAL 101 4.530 0.307 -12.893 763 HB VAL 101 HB VAL 101 4.002 2.428 -10.803 764 1HG1 VAL 101 HG11 VAL 101 6.336 1.199 -11.677 765 2HG1 VAL 101 HG13 VAL 101 6.294 2.689 -12.617 766 3HG1 VAL 101 HG12 VAL 101 6.241 2.754 -10.857 767 1HG2 VAL 101 HG23 VAL 101 3.707 2.548 -13.763 768 2HG2 VAL 101 HG22 VAL 101 2.942 3.532 -12.515 769 3HG2 VAL 101 HG21 VAL 101 4.598 3.872 -13.015 770 H GLU 102 HN GLU 102 2.247 -0.696 -10.612 771 HA GLU 102 HA GLU 102 4.435 -1.897 -8.983 772 1HB GLU 102 HB2 GLU 102 2.455 0.043 -8.065 773 2HB GLU 102 HB1 GLU 102 2.435 -1.435 -7.102 774 1HG GLU 102 HG2 GLU 102 5.161 -0.884 -7.461 775 2HG GLU 102 HG1 GLU 102 4.432 0.695 -7.178 776 H CYS 103 HN CYS 103 0.974 -2.129 -8.195 777 HA CYS 103 HA CYS 103 0.907 -4.926 -9.265 778 1HB CYS 103 HB2 CYS 103 0.328 -4.079 -6.405 779 2HB CYS 103 HB1 CYS 103 -0.036 -5.674 -7.068 780 H ASN 104 HN ASN 104 -0.423 -2.599 -10.335 781 HA ASN 104 HA ASN 104 -2.896 -1.791 -9.586 782 1HB ASN 104 HB2 ASN 104 -1.811 -1.195 -11.694 783 2HB ASN 104 HB1 ASN 104 -2.162 -2.782 -12.343 784 1HD2 ASN 104 HD22 ASN 104 -4.886 -0.827 -13.726 785 2HD2 ASN 104 HD21 ASN 104 -3.259 -1.218 -14.019 786 H LEU 105 HN LEU 105 -2.773 -4.641 -11.777 787 HA LEU 105 HA LEU 105 -4.362 -6.375 -12.044 788 1HB LEU 105 HB2 LEU 105 -4.114 -6.129 -9.037 789 2HB LEU 105 HB1 LEU 105 -5.017 -7.429 -9.815 790 HG LEU 105 HG LEU 105 -2.320 -7.010 -10.935 791 1HD1 LEU 105 HD13 LEU 105 -2.749 -7.488 -8.021 792 2HD1 LEU 105 HD12 LEU 105 -1.508 -8.449 -8.825 793 3HD1 LEU 105 HD11 LEU 105 -1.410 -6.688 -8.844 794 1HD2 LEU 105 HD22 LEU 105 -4.171 -9.232 -10.192 795 2HD2 LEU 105 HD21 LEU 105 -3.251 -8.984 -11.677 796 3HD2 LEU 105 HD23 LEU 105 -2.447 -9.602 -10.236 797 H ALA 106 HN ALA 106 -5.460 -3.538 -11.868 798 HA ALA 106 HA ALA 106 -7.536 -2.480 -11.902 799 1HB ALA 106 HB3 ALA 106 -8.150 -5.353 -12.256 800 2HB ALA 106 HB2 ALA 106 -9.478 -4.408 -11.581 801 3HB ALA 106 HB1 ALA 106 -8.771 -3.955 -13.132 802 H THR 107 HN THR 107 -9.197 -1.811 -10.374 803 HA THR 107 HA THR 107 -8.755 -2.881 -7.607 804 HB THR 107 HB THR 107 -8.614 -0.690 -6.732 805 HG1 THR 107 HG1 THR 107 -10.146 -0.014 -8.998 806 1HG2 THR 107 HG21 THR 107 -6.973 -1.155 -8.891 807 2HG2 THR 107 HG23 THR 107 -7.729 0.375 -9.336 808 3HG2 THR 107 HG22 THR 107 -6.842 0.239 -7.818 809 H ILE 108 HN ILE 108 -10.827 -1.036 -6.604 810 HA ILE 108 HA ILE 108 -13.199 -2.554 -6.741 811 HB ILE 108 HB ILE 108 -12.659 -0.934 -4.969 812 1HG1 ILE 108 HG12 ILE 108 -14.982 0.550 -5.705 813 2HG1 ILE 108 HG11 ILE 108 -15.192 -1.074 -6.358 814 1HG2 ILE 108 HG21 ILE 108 -11.629 0.698 -6.731 815 2HG2 ILE 108 HG23 ILE 108 -13.268 1.321 -6.888 816 3HG2 ILE 108 HG22 ILE 108 -12.442 1.391 -5.334 817 1HD1 ILE 108 HD11 ILE 108 -14.164 -0.821 -3.563 818 2HD1 ILE 108 HD13 ILE 108 -15.874 -0.492 -3.847 819 3HD1 ILE 108 HD12 ILE 108 -15.196 -2.064 -4.272 820 H HIS 109 HN HIS 109 -12.199 0.293 -8.601 821 HA HIS 109 HA HIS 109 -14.729 0.351 -10.138 822 1HB HIS 109 HB2 HIS 109 -13.575 2.402 -11.212 823 2HB HIS 109 HB1 HIS 109 -14.196 2.510 -9.565 824 HD1 HIS 109 HD1 HIS 109 -10.959 1.695 -11.350 825 HD2 HIS 109 HD2 HIS 109 -12.254 3.200 -7.689 826 HE1 HIS 109 HE1 HIS 109 -8.927 2.172 -9.959 827 H GLY 110 HN GLY 110 -12.604 -1.821 -10.461 828 1HA GLY 110 HA2 GLY 110 -11.555 -3.008 -12.187 829 2HA GLY 110 HA1 GLY 110 -12.974 -2.515 -13.096 830 H GLY 111 HN GLY 111 -9.860 -1.019 -12.039 831 1HA GLY 111 HA2 GLY 111 -8.818 -0.597 -14.609 832 2HA GLY 111 HA1 GLY 111 -9.776 0.824 -14.238 833 HA PRO 112 HA PRO 112 -5.545 1.117 -12.216 834 1HB PRO 112 HB2 PRO 112 -4.292 2.748 -14.065 835 2HB PRO 112 HB1 PRO 112 -4.213 0.986 -14.119 836 1HG PRO 112 HG2 PRO 112 -5.710 2.845 -15.869 837 2HG PRO 112 HG1 PRO 112 -5.211 1.175 -16.182 838 1HD PRO 112 HD2 PRO 112 -7.822 2.079 -15.435 839 2HD PRO 112 HD1 PRO 112 -7.279 0.397 -15.608 840 H PHE 113 HN PHE 113 -7.243 2.483 -10.896 841 HA PHE 113 HA PHE 113 -6.292 5.172 -10.542 842 1HB PHE 113 HB2 PHE 113 -8.075 6.546 -11.527 843 2HB PHE 113 HB1 PHE 113 -7.270 5.617 -12.770 844 HD1 PHE 113 HD2 PHE 113 -8.456 3.292 -13.436 845 HD2 PHE 113 HD1 PHE 113 -10.426 6.490 -11.338 846 HE1 PHE 113 HE2 PHE 113 -10.655 2.457 -14.179 847 HE2 PHE 113 HE1 PHE 113 -12.609 5.630 -12.091 848 HZ PHE 113 HZ PHE 113 -12.719 3.607 -13.512 849 H CYS 114 HN CYS 114 -6.650 4.544 -8.191 850 HA CYS 114 HA CYS 114 -9.556 4.734 -7.476 851 1HB CYS 114 HB2 CYS 114 -9.208 3.333 -5.549 852 2HB CYS 114 HB1 CYS 114 -8.576 2.488 -6.956 853 H LEU 115 HN LEU 115 -9.882 5.518 -5.162 854 HA LEU 115 HA LEU 115 -9.584 7.155 -3.496 855 1HB LEU 115 HB2 LEU 115 -7.058 6.338 -3.777 856 2HB LEU 115 HB1 LEU 115 -6.875 7.931 -4.507 857 HG LEU 115 HG LEU 115 -8.328 8.572 -2.296 858 1HD1 LEU 115 HD13 LEU 115 -6.926 5.993 -1.780 859 2HD1 LEU 115 HD12 LEU 115 -6.831 7.221 -0.518 860 3HD1 LEU 115 HD11 LEU 115 -8.403 6.634 -1.060 861 1HD2 LEU 115 HD23 LEU 115 -5.479 8.605 -3.068 862 2HD2 LEU 115 HD22 LEU 115 -6.483 9.900 -2.417 863 3HD2 LEU 115 HD21 LEU 115 -5.749 8.723 -1.329 864 H SER 116 HN SER 116 -10.919 8.793 -4.012 865 HA SER 116 HA SER 116 -11.527 10.960 -4.714 866 1HB SER 116 HB2 SER 116 -8.888 11.253 -4.954 867 2HB SER 116 HB1 SER 116 -9.271 11.181 -6.670 868 HG SER 116 HG SER 116 -9.349 13.305 -5.445 869 H LEU 117 HN LEU 117 -9.914 9.537 -7.582 870 HA LEU 117 HA LEU 117 -10.764 8.826 -9.627 871 1HB LEU 117 HB2 LEU 117 -12.853 8.231 -7.702 872 2HB LEU 117 HB1 LEU 117 -13.585 8.705 -9.229 873 HG LEU 117 HG LEU 117 -12.034 7.086 -10.383 874 1HD1 LEU 117 HD13 LEU 117 -11.268 6.652 -7.522 875 2HD1 LEU 117 HD12 LEU 117 -11.228 5.284 -8.630 876 3HD1 LEU 117 HD11 LEU 117 -10.246 6.713 -8.959 877 1HD2 LEU 117 HD21 LEU 117 -14.445 6.581 -9.373 878 2HD2 LEU 117 HD23 LEU 117 -13.468 5.295 -10.080 879 3HD2 LEU 117 HD22 LEU 117 -13.521 5.499 -8.330 880 H LEU 118 HN LEU 118 -13.363 9.634 -10.829 881 HA LEU 118 HA LEU 118 -12.700 12.021 -12.043 882 1HB LEU 118 HB2 LEU 118 -15.357 10.694 -11.569 883 2HB LEU 118 HB1 LEU 118 -15.283 12.287 -12.312 884 HG LEU 118 HG LEU 118 -13.309 10.932 -13.680 885 1HD1 LEU 118 HD12 LEU 118 -15.524 9.006 -12.942 886 2HD1 LEU 118 HD11 LEU 118 -14.505 8.783 -14.364 887 3HD1 LEU 118 HD13 LEU 118 -13.786 8.779 -12.754 888 1HD2 LEU 118 HD21 LEU 118 -16.201 11.532 -14.197 889 2HD2 LEU 118 HD23 LEU 118 -14.765 12.184 -14.985 890 3HD2 LEU 118 HD22 LEU 118 -15.319 10.556 -15.372 891 H GLY 119 HN GLY 119 -13.884 11.801 -8.751 892 1HA GLY 119 HA2 GLY 119 -14.243 13.463 -7.152 893 2HA GLY 119 HA1 GLY 119 -13.367 14.552 -8.227 894 H ALA 120 HN ALA 120 -16.322 14.005 -6.806 895 HA ALA 120 HA ALA 120 -17.825 15.452 -8.950 896 1HB ALA 120 HB3 ALA 120 -18.612 13.155 -8.023 897 2HB ALA 120 HB2 ALA 120 -19.089 14.065 -6.589 898 3HB ALA 120 HB1 ALA 120 -19.805 14.447 -8.156 899 H GLY 121 HN GLY 121 -16.452 17.275 -7.967 900 1HA GLY 121 HA2 GLY 121 -16.983 18.367 -5.388 901 2HA GLY 121 HA1 GLY 121 -16.382 19.289 -6.767 902 H GLU 122 HN GLU 122 -18.872 18.340 -8.312 903 HA GLU 122 HA GLU 122 -20.817 20.248 -7.065 904 1HB GLU 122 HB2 GLU 122 -20.392 19.707 -10.020 905 2HB GLU 122 HB1 GLU 122 -21.494 20.895 -9.321 906 1HG GLU 122 HG2 GLU 122 -19.484 21.965 -8.214 907 2HG GLU 122 HG1 GLU 122 -18.469 20.893 -9.180 No H/Q in entry = 907 Start of MODEL 14 Raw file had 930 H/Q atoms Start of MODEL 14 1 1H SER 1 HT2 SER 1 -22.968 -16.742 1.294 2 2H SER 1 HT1 SER 1 -23.419 -17.121 -0.300 3 3H SER 1 HT3 SER 1 -21.877 -16.489 0.017 4 HA SER 1 HA SER 1 -22.667 -14.474 -0.383 5 1HB SER 1 HB2 SER 1 -25.057 -14.131 -0.874 6 2HB SER 1 HB1 SER 1 -24.457 -15.572 -1.690 7 HG SER 1 HG SER 1 -25.834 -16.691 -0.577 8 H VAL 2 HN VAL 2 -22.910 -12.736 0.985 9 HA VAL 2 HA VAL 2 -24.714 -12.462 3.114 10 HB VAL 2 HB VAL 2 -23.873 -14.217 4.387 11 1HG1 VAL 2 HG11 VAL 2 -21.515 -13.783 2.743 12 2HG1 VAL 2 HG13 VAL 2 -21.080 -14.088 4.424 13 3HG1 VAL 2 HG12 VAL 2 -22.065 -15.255 3.543 14 1HG2 VAL 2 HG22 VAL 2 -23.318 -11.691 5.311 15 2HG2 VAL 2 HG21 VAL 2 -23.132 -13.163 6.264 16 3HG2 VAL 2 HG23 VAL 2 -21.739 -12.466 5.436 17 H GLY 3 HN GLY 3 -21.236 -11.975 3.628 18 1HA GLY 3 HA2 GLY 3 -21.413 -9.189 2.684 19 2HA GLY 3 HA1 GLY 3 -21.155 -9.394 4.418 20 H THR 4 HN THR 4 -19.289 -8.225 2.475 21 HA THR 4 HA THR 4 -16.883 -9.519 3.345 22 HB THR 4 HB THR 4 -17.482 -11.254 1.745 23 HG1 THR 4 HG1 THR 4 -15.718 -10.566 0.092 24 1HG2 THR 4 HG21 THR 4 -18.083 -8.879 0.037 25 2HG2 THR 4 HG23 THR 4 -17.483 -10.335 -0.759 26 3HG2 THR 4 HG22 THR 4 -18.963 -10.398 0.198 27 H SER 5 HN SER 5 -17.215 -6.999 3.672 28 HA SER 5 HA SER 5 -16.097 -5.563 1.302 29 1HB SER 5 HB2 SER 5 -18.285 -4.885 2.745 30 2HB SER 5 HB1 SER 5 -17.048 -4.037 3.669 31 HG SER 5 HG SER 5 -17.614 -3.833 0.894 32 H CYS 6 HN CYS 6 -15.210 -3.334 3.007 33 HA CYS 6 HA CYS 6 -12.590 -4.414 3.709 34 1HB CYS 6 HB2 CYS 6 -13.739 -1.638 4.134 35 2HB CYS 6 HB1 CYS 6 -12.042 -2.085 4.292 36 H ILE 7 HN ILE 7 -12.510 -5.615 5.560 37 HA ILE 7 HA ILE 7 -13.708 -4.399 8.014 38 HB ILE 7 HB ILE 7 -13.420 -7.227 8.364 39 1HG1 ILE 7 HG12 ILE 7 -15.307 -6.617 6.087 40 2HG1 ILE 7 HG11 ILE 7 -13.636 -7.082 5.769 41 1HG2 ILE 7 HG21 ILE 7 -15.345 -5.101 8.727 42 2HG2 ILE 7 HG23 ILE 7 -16.146 -6.549 8.116 43 3HG2 ILE 7 HG22 ILE 7 -15.198 -6.625 9.601 44 1HD1 ILE 7 HD12 ILE 7 -14.795 -8.838 7.753 45 2HD1 ILE 7 HD11 ILE 7 -15.804 -8.804 6.306 46 3HD1 ILE 7 HD13 ILE 7 -14.101 -9.245 6.184 47 HA PRO 8 HA PRO 8 -9.701 -4.806 9.727 48 1HB PRO 8 HB2 PRO 8 -10.341 -5.074 12.392 49 2HB PRO 8 HB1 PRO 8 -10.450 -3.545 11.502 50 1HG PRO 8 HG2 PRO 8 -12.643 -5.355 12.398 51 2HG PRO 8 HG1 PRO 8 -12.684 -3.612 12.082 52 1HD PRO 8 HD2 PRO 8 -13.641 -5.644 10.350 53 2HD PRO 8 HD1 PRO 8 -13.394 -3.935 9.929 54 H GLY 9 HN GLY 9 -8.197 -6.492 10.322 55 1HA GLY 9 HA2 GLY 9 -7.462 -8.682 10.670 56 2HA GLY 9 HA1 GLY 9 -8.829 -8.840 11.768 57 H MET 10 HN MET 10 -9.715 -7.969 8.580 58 HA MET 10 HA MET 10 -10.162 -10.807 7.799 59 1HB MET 10 HB2 MET 10 -12.276 -8.638 7.910 60 2HB MET 10 HB1 MET 10 -12.495 -10.194 7.108 61 1HG MET 10 HG2 MET 10 -11.471 -10.796 9.663 62 2HG MET 10 HG1 MET 10 -12.701 -9.558 9.923 63 1HE MET 10 HE1 MET 10 -12.647 -12.209 11.069 64 2HE MET 10 HE3 MET 10 -14.303 -11.624 11.291 65 3HE MET 10 HE2 MET 10 -14.014 -13.240 10.653 66 H ALA 11 HN ALA 11 -8.914 -10.776 5.807 67 HA ALA 11 HA ALA 11 -8.630 -10.238 3.519 68 1HB ALA 11 HB3 ALA 11 -11.023 -9.025 3.927 69 2HB ALA 11 HB2 ALA 11 -10.001 -7.605 3.708 70 3HB ALA 11 HB1 ALA 11 -10.091 -8.831 2.443 71 H ILE 12 HN ILE 12 -8.804 -7.232 5.447 72 HA ILE 12 HA ILE 12 -6.028 -6.614 4.588 73 HB ILE 12 HB ILE 12 -8.086 -4.816 5.901 74 1HG1 ILE 12 HG12 ILE 12 -7.172 -4.833 3.012 75 2HG1 ILE 12 HG11 ILE 12 -8.633 -5.653 3.561 76 1HG2 ILE 12 HG22 ILE 12 -5.243 -4.556 5.273 77 2HG2 ILE 12 HG21 ILE 12 -6.212 -3.290 4.519 78 3HG2 ILE 12 HG23 ILE 12 -6.268 -3.522 6.266 79 1HD1 ILE 12 HD13 ILE 12 -8.799 -3.096 4.689 80 2HD1 ILE 12 HD12 ILE 12 -8.200 -2.823 3.053 81 3HD1 ILE 12 HD11 ILE 12 -9.714 -3.692 3.303 82 HA PRO 13 HA PRO 13 -5.533 -7.952 8.903 83 1HB PRO 13 HB2 PRO 13 -2.938 -8.818 8.647 84 2HB PRO 13 HB1 PRO 13 -4.356 -9.798 8.244 85 1HG PRO 13 HG2 PRO 13 -2.398 -8.521 6.426 86 2HG PRO 13 HG1 PRO 13 -3.519 -9.853 6.102 87 1HD PRO 13 HD2 PRO 13 -3.802 -7.101 5.355 88 2HD PRO 13 HD1 PRO 13 -4.983 -8.412 5.085 89 H HIS 14 HN HIS 14 -3.806 -7.438 10.589 90 HA HIS 14 HA HIS 14 -3.340 -4.616 10.628 91 1HB HIS 14 HB2 HIS 14 -2.147 -6.774 12.406 92 2HB HIS 14 HB1 HIS 14 -2.364 -5.078 12.795 93 HD1 HIS 14 HD1 HIS 14 -4.559 -4.401 13.825 94 HD2 HIS 14 HD2 HIS 14 -4.750 -8.155 12.030 95 HE1 HIS 14 HE1 HIS 14 -6.842 -5.350 14.389 96 H ASN 15 HN ASN 15 -1.297 -3.498 10.384 97 HA ASN 15 HA ASN 15 0.814 -3.145 9.440 98 1HB ASN 15 HB2 ASN 15 1.302 -4.672 11.463 99 2HB ASN 15 HB1 ASN 15 1.461 -5.970 10.279 100 1HD2 ASN 15 HD22 ASN 15 4.398 -3.172 10.616 101 2HD2 ASN 15 HD21 ASN 15 2.976 -3.057 11.536 102 HA PRO 16 HA PRO 16 -0.309 -6.043 5.891 103 1HB PRO 16 HB2 PRO 16 -1.834 -4.308 4.410 104 2HB PRO 16 HB1 PRO 16 -2.513 -5.414 5.617 105 1HG PRO 16 HG2 PRO 16 -2.085 -2.464 5.801 106 2HG PRO 16 HG1 PRO 16 -3.297 -3.474 6.605 107 1HD PRO 16 HD2 PRO 16 -0.945 -2.477 7.806 108 2HD PRO 16 HD1 PRO 16 -1.973 -3.782 8.432 109 H LEU 17 HN LEU 17 0.322 -5.702 3.596 110 HA LEU 17 HA LEU 17 1.957 -5.038 2.058 111 1HB LEU 17 HB2 LEU 17 0.462 -2.626 2.907 112 2HB LEU 17 HB1 LEU 17 1.966 -2.335 2.034 113 HG LEU 17 HG LEU 17 0.880 -4.343 0.536 114 1HD1 LEU 17 HD13 LEU 17 -1.397 -2.626 1.573 115 2HD1 LEU 17 HD12 LEU 17 -1.512 -3.723 0.196 116 3HD1 LEU 17 HD11 LEU 17 -1.206 -4.364 1.810 117 1HD2 LEU 17 HD21 LEU 17 1.739 -1.898 0.025 118 2HD2 LEU 17 HD23 LEU 17 0.669 -2.712 -1.117 119 3HD2 LEU 17 HD22 LEU 17 0.017 -1.517 0.004 120 H ASP 18 HN ASP 18 3.224 -5.744 4.405 121 HA ASP 18 HA ASP 18 4.969 -3.599 5.334 122 1HB ASP 18 HB2 ASP 18 6.140 -5.337 6.574 123 2HB ASP 18 HB1 ASP 18 4.403 -5.616 6.721 124 H SER 19 HN SER 19 5.255 -6.314 3.098 125 HA SER 19 HA SER 19 7.999 -5.989 2.408 126 1HB SER 19 HB2 SER 19 6.036 -7.742 1.673 127 2HB SER 19 HB1 SER 19 6.144 -6.753 0.220 128 HG SER 19 HG SER 19 8.014 -8.454 1.397 129 H CYS 20 HN CYS 20 5.135 -4.215 1.573 130 HA CYS 20 HA CYS 20 6.240 -2.870 -0.740 131 1HB CYS 20 HB2 CYS 20 3.932 -2.088 1.052 132 2HB CYS 20 HB1 CYS 20 4.279 -1.411 -0.540 133 H ARG 21 HN ARG 21 5.997 -2.134 2.721 134 HA ARG 21 HA ARG 21 7.002 0.532 2.524 135 1HB ARG 21 HB2 ARG 21 6.261 0.370 4.650 136 2HB ARG 21 HB1 ARG 21 6.420 -1.381 4.670 137 1HG ARG 21 HG2 ARG 21 7.901 -0.405 6.352 138 2HG ARG 21 HG1 ARG 21 8.879 -1.103 5.061 139 1HD ARG 21 HD2 ARG 21 9.635 0.932 4.354 140 2HD ARG 21 HD1 ARG 21 8.092 1.725 4.671 141 HE ARG 21 HE ARG 21 9.725 0.966 7.023 142 1HH1 ARG 21 HH21 ARG 21 9.023 3.347 4.655 143 2HH1 ARG 21 HH22 ARG 21 9.160 4.680 5.752 144 1HH2 ARG 21 HH11 ARG 21 9.693 2.682 8.535 145 2HH2 ARG 21 HH12 ARG 21 9.541 4.304 7.947 146 H TRP 22 HN TRP 22 8.688 -2.587 3.149 147 HA TRP 22 HA TRP 22 11.279 -1.292 3.160 148 1HB TRP 22 HB2 TRP 22 10.473 -4.183 3.070 149 2HB TRP 22 HB1 TRP 22 12.139 -3.690 2.813 150 HD1 TRP 22 HD1 TRP 22 10.055 -4.700 5.516 151 HE1 TRP 22 HE1 TRP 22 10.908 -3.769 7.783 152 HE3 TRP 22 HE3 TRP 22 13.208 -1.231 3.774 153 HZ2 TRP 22 HZ2 TRP 22 12.755 -1.730 8.694 154 HZ3 TRP 22 HZ3 TRP 22 14.536 0.233 5.308 155 HH2 TRP 22 HH2 TRP 22 14.307 -0.024 7.768 156 H TYR 23 HN TYR 23 9.212 -2.627 0.685 157 HA TYR 23 HA TYR 23 11.244 -2.933 -1.326 158 1HB TYR 23 HB2 TYR 23 8.998 -3.947 -1.551 159 2HB TYR 23 HB1 TYR 23 8.292 -2.336 -1.707 160 HD1 TYR 23 HD1 TYR 23 11.511 -3.643 -3.084 161 HD2 TYR 23 HD2 TYR 23 7.539 -2.252 -3.951 162 HE1 TYR 23 HE1 TYR 23 12.033 -3.659 -5.508 163 HE2 TYR 23 HE2 TYR 23 8.063 -2.269 -6.373 164 HH TYR 23 HH TYR 23 11.323 -3.011 -7.544 165 H VAL 24 HN VAL 24 9.378 -0.186 -0.132 166 HA VAL 24 HA VAL 24 10.234 1.578 -2.301 167 HB VAL 24 HB VAL 24 9.177 2.246 0.459 168 1HG1 VAL 24 HG11 VAL 24 10.596 4.009 -0.645 169 2HG1 VAL 24 HG13 VAL 24 9.433 4.028 -1.972 170 3HG1 VAL 24 HG12 VAL 24 8.929 4.503 -0.349 171 1HG2 VAL 24 HG22 VAL 24 7.925 1.708 -2.205 172 2HG2 VAL 24 HG21 VAL 24 7.330 1.314 -0.592 173 3HG2 VAL 24 HG23 VAL 24 7.208 2.967 -1.197 174 H SER 25 HN SER 25 11.267 0.882 1.031 175 HA SER 25 HA SER 25 13.280 2.849 1.251 176 1HB SER 25 HB2 SER 25 14.071 0.265 2.380 177 2HB SER 25 HB1 SER 25 13.791 1.805 3.186 178 HG SER 25 HG SER 25 11.518 1.359 2.927 179 H THR 26 HN THR 26 13.459 -0.413 -0.182 180 HA THR 26 HA THR 26 16.284 -0.171 -0.842 181 HB THR 26 HB THR 26 14.115 -2.167 -1.457 182 HG1 THR 26 HG1 THR 26 16.651 -2.663 -0.378 183 1HG2 THR 26 HG21 THR 26 16.571 -1.694 -2.996 184 2HG2 THR 26 HG23 THR 26 16.439 -3.341 -2.378 185 3HG2 THR 26 HG22 THR 26 15.164 -2.678 -3.399 186 H ARG 27 HN ARG 27 13.357 -0.290 -2.914 187 HA ARG 27 HA ARG 27 14.718 0.254 -5.334 188 1HB ARG 27 HB2 ARG 27 12.346 -0.511 -5.165 189 2HB ARG 27 HB1 ARG 27 11.899 1.108 -4.628 190 1HG ARG 27 HG2 ARG 27 11.581 1.487 -6.853 191 2HG ARG 27 HG1 ARG 27 13.332 1.702 -6.866 192 1HD ARG 27 HD2 ARG 27 12.893 -1.083 -7.020 193 2HD ARG 27 HD1 ARG 27 11.753 -0.350 -8.148 194 HE ARG 27 HE ARG 27 14.532 -0.588 -8.626 195 1HH1 ARG 27 HH11 ARG 27 15.188 2.063 -8.308 196 2HH1 ARG 27 HH12 ARG 27 14.543 2.914 -9.672 197 1HH2 ARG 27 HH21 ARG 27 12.335 0.385 -10.539 198 2HH2 ARG 27 HH22 ARG 27 12.927 1.964 -10.935 199 H THR 28 HN THR 28 13.836 2.402 -2.733 200 HA THR 28 HA THR 28 14.277 4.782 -4.422 201 HB THR 28 HB THR 28 13.556 6.063 -2.461 202 HG1 THR 28 HG1 THR 28 13.010 4.933 -0.571 203 1HG2 THR 28 HG23 THR 28 11.900 3.625 -3.128 204 2HG2 THR 28 HG22 THR 28 11.295 4.965 -2.155 205 3HG2 THR 28 HG21 THR 28 11.774 5.237 -3.831 206 H CYS 29 HN CYS 29 15.568 3.905 -1.161 207 HA CYS 29 HA CYS 29 18.041 5.376 -1.898 208 1HB CYS 29 HB2 CYS 29 17.487 4.218 0.824 209 2HB CYS 29 HB1 CYS 29 18.459 5.625 0.397 210 H GLY 30 HN GLY 30 17.155 2.474 -2.583 211 1HA GLY 30 HA2 GLY 30 18.234 0.386 -2.816 212 2HA GLY 30 HA1 GLY 30 19.736 1.301 -2.672 213 H VAL 31 HN VAL 31 17.469 1.525 -0.057 214 HA VAL 31 HA VAL 31 19.328 -0.109 1.615 215 HB VAL 31 HB VAL 31 17.340 2.055 2.365 216 1HG1 VAL 31 HG12 VAL 31 18.974 0.132 4.007 217 2HG1 VAL 31 HG11 VAL 31 18.592 1.732 4.638 218 3HG1 VAL 31 HG13 VAL 31 17.291 0.616 4.219 219 1HG2 VAL 31 HG21 VAL 31 20.125 2.041 1.599 220 2HG2 VAL 31 HG23 VAL 31 19.096 3.418 1.988 221 3HG2 VAL 31 HG22 VAL 31 19.971 2.582 3.271 222 H GLY 32 HN GLY 32 18.271 -1.463 3.337 223 1HA GLY 32 HA2 GLY 32 15.827 -2.196 3.958 224 2HA GLY 32 HA1 GLY 32 15.789 -2.627 2.242 225 HA PRO 33 HA PRO 33 17.720 -6.122 4.820 226 1HB PRO 33 HB2 PRO 33 15.924 -8.112 4.110 227 2HB PRO 33 HB1 PRO 33 15.797 -7.135 5.582 228 1HG PRO 33 HG2 PRO 33 14.284 -6.882 3.007 229 2HG PRO 33 HG1 PRO 33 13.738 -6.581 4.666 230 1HD PRO 33 HD2 PRO 33 14.403 -4.583 2.912 231 2HD PRO 33 HD1 PRO 33 14.521 -4.423 4.681 232 H ARG 34 HN ARG 34 18.449 -8.357 3.719 233 HA ARG 34 HA ARG 34 19.345 -7.618 1.009 234 1HB ARG 34 HB2 ARG 34 20.140 -9.695 3.031 235 2HB ARG 34 HB1 ARG 34 20.622 -9.883 1.345 236 1HG ARG 34 HG2 ARG 34 21.492 -7.470 1.492 237 2HG ARG 34 HG1 ARG 34 21.312 -7.634 3.241 238 1HD ARG 34 HD2 ARG 34 23.058 -9.104 3.419 239 2HD ARG 34 HD1 ARG 34 22.718 -9.857 1.862 240 HE ARG 34 HE ARG 34 24.288 -7.360 2.257 241 1HH1 ARG 34 HH11 ARG 34 24.152 -10.336 0.751 242 2HH1 ARG 34 HH12 ARG 34 24.657 -9.778 -0.808 243 1HH2 ARG 34 HH21 ARG 34 24.451 -6.421 0.030 244 2HH2 ARG 34 HH22 ARG 34 24.827 -7.562 -1.216 245 H LEU 35 HN LEU 35 17.249 -7.901 0.000 246 HA LEU 35 HA LEU 35 16.763 -10.743 -0.732 247 1HB LEU 35 HB2 LEU 35 15.076 -9.448 1.005 248 2HB LEU 35 HB1 LEU 35 14.330 -9.078 -0.551 249 HG LEU 35 HG LEU 35 15.216 -11.890 -0.068 250 1HD1 LEU 35 HD13 LEU 35 12.999 -10.476 1.368 251 2HD1 LEU 35 HD12 LEU 35 12.747 -12.143 0.853 252 3HD1 LEU 35 HD11 LEU 35 14.072 -11.749 1.947 253 1HD2 LEU 35 HD23 LEU 35 13.931 -10.596 -2.104 254 2HD2 LEU 35 HD22 LEU 35 13.779 -12.325 -1.789 255 3HD2 LEU 35 HD21 LEU 35 12.559 -11.207 -1.178 256 H ALA 36 HN ALA 36 16.580 -10.940 -2.938 257 HA ALA 36 HA ALA 36 17.201 -8.919 -4.732 258 1HB ALA 36 HB1 ALA 36 15.588 -11.437 -5.005 259 2HB ALA 36 HB3 ALA 36 15.685 -10.325 -6.371 260 3HB ALA 36 HB2 ALA 36 17.155 -11.036 -5.707 261 H THR 37 HN THR 37 15.803 -7.633 -6.223 262 HA THR 37 HA THR 37 13.609 -6.379 -4.783 263 HB THR 37 HB THR 37 13.429 -5.392 -7.328 264 HG1 THR 37 HG1 THR 37 15.060 -6.455 -8.246 265 1HG2 THR 37 HG21 THR 37 14.666 -4.661 -4.806 266 2HG2 THR 37 HG23 THR 37 15.563 -3.992 -6.169 267 3HG2 THR 37 HG22 THR 37 13.845 -3.636 -5.983 268 H GLN 38 HN GLN 38 13.759 -8.224 -7.864 269 HA GLN 38 HA GLN 38 11.048 -8.246 -8.488 270 1HB GLN 38 HB2 GLN 38 12.710 -9.323 -9.925 271 2HB GLN 38 HB1 GLN 38 12.999 -10.561 -8.702 272 1HG GLN 38 HG2 GLN 38 10.315 -10.791 -8.949 273 2HG GLN 38 HG1 GLN 38 10.718 -10.255 -10.581 274 1HE2 GLN 38 HE22 GLN 38 12.969 -13.171 -11.022 275 2HE2 GLN 38 HE21 GLN 38 13.107 -11.483 -11.142 276 H GLU 39 HN GLU 39 12.687 -10.100 -5.972 277 HA GLU 39 HA GLU 39 10.426 -11.793 -5.359 278 1HB GLU 39 HB2 GLU 39 12.866 -10.962 -3.766 279 2HB GLU 39 HB1 GLU 39 11.651 -12.080 -3.143 280 1HG GLU 39 HG2 GLU 39 12.196 -13.072 -5.680 281 2HG GLU 39 HG1 GLU 39 13.777 -12.551 -5.094 282 H MET 40 HN MET 40 11.616 -8.700 -4.101 283 HA MET 40 HA MET 40 9.727 -8.373 -1.994 284 1HB MET 40 HB2 MET 40 11.849 -6.979 -2.704 285 2HB MET 40 HB1 MET 40 10.691 -6.065 -3.661 286 1HG MET 40 HG2 MET 40 10.555 -4.874 -1.699 287 2HG MET 40 HG1 MET 40 9.329 -6.099 -1.363 288 1HE MET 40 HE2 MET 40 9.128 -6.026 0.647 289 2HE MET 40 HE1 MET 40 9.816 -7.424 1.467 290 3HE MET 40 HE3 MET 40 10.322 -5.791 1.920 291 H LYS 41 HN LYS 41 9.717 -6.881 -5.235 292 HA LYS 41 HA LYS 41 7.128 -5.813 -5.204 293 1HB LYS 41 HB2 LYS 41 8.534 -5.287 -7.057 294 2HB LYS 41 HB1 LYS 41 8.757 -6.986 -7.467 295 1HG LYS 41 HG2 LYS 41 6.641 -7.181 -8.411 296 2HG LYS 41 HG1 LYS 41 5.981 -5.855 -7.453 297 1HD LYS 41 HD2 LYS 41 6.182 -4.811 -9.515 298 2HD LYS 41 HD1 LYS 41 7.752 -4.426 -8.811 299 1HE LYS 41 HE2 LYS 41 7.652 -7.028 -10.194 300 2HE LYS 41 HE1 LYS 41 7.408 -5.634 -11.248 301 1HZ LYS 41 HZ2 LYS 41 9.499 -5.149 -9.396 302 2HZ LYS 41 HZ1 LYS 41 9.805 -6.575 -10.268 303 3HZ LYS 41 HZ3 LYS 41 9.542 -5.116 -11.094 304 H ALA 42 HN ALA 42 8.127 -9.135 -6.004 305 HA ALA 42 HA ALA 42 5.600 -10.116 -6.845 306 1HB ALA 42 HB3 ALA 42 7.996 -11.405 -5.549 307 2HB ALA 42 HB2 ALA 42 6.538 -12.342 -5.871 308 3HB ALA 42 HB1 ALA 42 7.408 -11.581 -7.203 309 H ARG 43 HN ARG 43 7.047 -9.985 -3.590 310 HA ARG 43 HA ARG 43 4.912 -11.249 -2.214 311 1HB ARG 43 HB2 ARG 43 7.137 -9.413 -1.461 312 2HB ARG 43 HB1 ARG 43 5.810 -9.590 -0.311 313 1HG ARG 43 HG2 ARG 43 7.611 -11.251 0.099 314 2HG ARG 43 HG1 ARG 43 6.086 -12.027 -0.328 315 1HD ARG 43 HD2 ARG 43 6.935 -12.014 -2.749 316 2HD ARG 43 HD1 ARG 43 8.514 -11.613 -2.079 317 HE ARG 43 HE ARG 43 8.659 -13.817 -1.191 318 1HH1 ARG 43 HH11 ARG 43 6.245 -13.585 -3.489 319 2HH1 ARG 43 HH12 ARG 43 5.378 -14.997 -2.986 320 1HH2 ARG 43 HH21 ARG 43 7.243 -15.441 -0.098 321 2HH2 ARG 43 HH22 ARG 43 5.941 -16.046 -1.068 322 H CYS 44 HN CYS 44 5.478 -7.752 -2.816 323 HA CYS 44 HA CYS 44 3.143 -6.834 -1.496 324 1HB CYS 44 HB2 CYS 44 4.769 -5.721 -3.756 325 2HB CYS 44 HB1 CYS 44 3.257 -4.947 -3.277 326 H CYS 45 HN CYS 45 3.546 -8.161 -4.773 327 HA CYS 45 HA CYS 45 0.873 -7.425 -5.614 328 1HB CYS 45 HB2 CYS 45 2.942 -9.344 -6.661 329 2HB CYS 45 HB1 CYS 45 1.314 -9.325 -7.333 330 H ARG 46 HN ARG 46 2.250 -10.155 -3.872 331 HA ARG 46 HA ARG 46 -0.102 -11.828 -4.133 332 1HB ARG 46 HB2 ARG 46 2.317 -12.443 -3.311 333 2HB ARG 46 HB1 ARG 46 1.718 -11.951 -1.736 334 1HG ARG 46 HG2 ARG 46 -0.034 -13.760 -3.315 335 2HG ARG 46 HG1 ARG 46 1.434 -14.462 -2.634 336 1HD ARG 46 HD2 ARG 46 0.573 -13.061 -0.491 337 2HD ARG 46 HD1 ARG 46 -0.977 -13.412 -1.254 338 HE ARG 46 HE ARG 46 -0.244 -15.854 -1.189 339 1HH1 ARG 46 HH11 ARG 46 2.530 -15.144 -0.128 340 2HH1 ARG 46 HH12 ARG 46 2.350 -15.522 1.553 341 1HH2 ARG 46 HH21 ARG 46 -1.115 -15.624 1.427 342 2HH2 ARG 46 HH22 ARG 46 0.283 -15.794 2.435 343 H GLN 47 HN GLN 47 0.987 -9.312 -1.911 344 HA GLN 47 HA GLN 47 -1.282 -9.655 -0.090 345 1HB GLN 47 HB2 GLN 47 0.430 -7.174 -0.357 346 2HB GLN 47 HB1 GLN 47 -0.415 -7.765 1.073 347 1HG GLN 47 HG2 GLN 47 1.319 -9.845 0.192 348 2HG GLN 47 HG1 GLN 47 2.257 -8.352 0.222 349 1HE2 GLN 47 HE22 GLN 47 2.678 -8.873 3.690 350 2HE2 GLN 47 HE21 GLN 47 3.427 -8.697 2.177 351 H LEU 48 HN LEU 48 -0.598 -7.886 -2.997 352 HA LEU 48 HA LEU 48 -2.737 -5.964 -2.799 353 1HB LEU 48 HB2 LEU 48 -0.598 -5.979 -4.322 354 2HB LEU 48 HB1 LEU 48 -1.571 -6.978 -5.394 355 HG LEU 48 HG LEU 48 -1.564 -4.429 -5.803 356 1HD1 LEU 48 HD12 LEU 48 -3.325 -6.336 -6.456 357 2HD1 LEU 48 HD11 LEU 48 -4.371 -5.344 -5.439 358 3HD1 LEU 48 HD13 LEU 48 -3.589 -4.638 -6.852 359 1HD2 LEU 48 HD21 LEU 48 -1.934 -3.943 -3.331 360 2HD2 LEU 48 HD23 LEU 48 -2.995 -3.081 -4.444 361 3HD2 LEU 48 HD22 LEU 48 -3.596 -4.487 -3.564 362 H GLU 49 HN GLU 49 -2.384 -9.229 -4.095 363 HA GLU 49 HA GLU 49 -5.040 -9.253 -5.309 364 1HB GLU 49 HB2 GLU 49 -3.120 -11.506 -4.621 365 2HB GLU 49 HB1 GLU 49 -4.615 -11.709 -5.535 366 1HG GLU 49 HG2 GLU 49 -3.007 -9.541 -6.616 367 2HG GLU 49 HG1 GLU 49 -2.104 -11.056 -6.588 368 H ALA 50 HN ALA 50 -3.605 -10.991 -2.505 369 HA ALA 50 HA ALA 50 -5.944 -12.052 -1.404 370 1HB ALA 50 HB3 ALA 50 -3.313 -11.646 -0.511 371 2HB ALA 50 HB2 ALA 50 -4.319 -10.817 0.677 372 3HB ALA 50 HB1 ALA 50 -4.580 -12.528 0.342 373 H ILE 51 HN ILE 51 -4.731 -8.771 -1.356 374 HA ILE 51 HA ILE 51 -6.900 -7.744 0.328 375 HB ILE 51 HB ILE 51 -4.729 -6.372 -1.288 376 1HG1 ILE 51 HG12 ILE 51 -4.105 -7.698 0.796 377 2HG1 ILE 51 HG11 ILE 51 -3.679 -5.987 0.844 378 1HG2 ILE 51 HG21 ILE 51 -6.769 -5.204 0.631 379 2HG2 ILE 51 HG23 ILE 51 -5.434 -4.318 -0.106 380 3HG2 ILE 51 HG22 ILE 51 -6.736 -4.951 -1.114 381 1HD1 ILE 51 HD11 ILE 51 -6.278 -7.045 1.971 382 2HD1 ILE 51 HD13 ILE 51 -4.811 -6.903 2.940 383 3HD1 ILE 51 HD12 ILE 51 -5.548 -5.462 2.238 384 HA PRO 52 HA PRO 52 -9.405 -7.882 -3.407 385 1HB PRO 52 HB2 PRO 52 -11.721 -7.043 -2.147 386 2HB PRO 52 HB1 PRO 52 -11.160 -8.724 -2.208 387 1HG PRO 52 HG2 PRO 52 -10.964 -6.752 0.045 388 2HG PRO 52 HG1 PRO 52 -11.190 -8.510 0.108 389 1HD PRO 52 HD2 PRO 52 -8.763 -7.273 0.591 390 2HD PRO 52 HD1 PRO 52 -8.913 -8.937 -0.016 391 H ALA 53 HN ALA 53 -10.172 -6.289 -4.820 392 HA ALA 53 HA ALA 53 -8.992 -3.729 -4.641 393 1HB ALA 53 HB3 ALA 53 -10.498 -5.190 -6.534 394 2HB ALA 53 HB2 ALA 53 -11.293 -3.627 -6.345 395 3HB ALA 53 HB1 ALA 53 -9.588 -3.701 -6.792 396 H TYR 54 HN TYR 54 -12.263 -4.768 -3.692 397 HA TYR 54 HA TYR 54 -13.542 -2.307 -3.418 398 1HB TYR 54 HB2 TYR 54 -14.240 -4.759 -2.630 399 2HB TYR 54 HB1 TYR 54 -13.682 -4.156 -1.067 400 HD1 TYR 54 HD1 TYR 54 -16.120 -3.669 -3.803 401 HD2 TYR 54 HD2 TYR 54 -14.846 -2.365 0.087 402 HE1 TYR 54 HE1 TYR 54 -18.227 -2.389 -3.541 403 HE2 TYR 54 HE2 TYR 54 -16.956 -1.088 0.349 404 HH TYR 54 HH TYR 54 -19.257 -0.782 -2.312 405 H CYS 55 HN CYS 55 -10.840 -3.574 -1.659 406 HA CYS 55 HA CYS 55 -10.764 -1.086 -0.007 407 1HB CYS 55 HB2 CYS 55 -9.338 -3.673 0.646 408 2HB CYS 55 HB1 CYS 55 -9.635 -2.300 1.710 409 H ARG 56 HN ARG 56 -8.317 -3.543 -0.907 410 HA ARG 56 HA ARG 56 -6.034 -3.125 -1.427 411 1HB ARG 56 HB2 ARG 56 -7.859 -2.333 -3.637 412 2HB ARG 56 HB1 ARG 56 -6.171 -1.842 -3.808 413 1HG ARG 56 HG2 ARG 56 -5.436 -4.156 -3.429 414 2HG ARG 56 HG1 ARG 56 -7.108 -4.665 -3.202 415 1HD ARG 56 HD2 ARG 56 -7.432 -3.572 -5.588 416 2HD ARG 56 HD1 ARG 56 -5.698 -3.853 -5.721 417 HE ARG 56 HE ARG 56 -6.550 -6.290 -4.879 418 1HH1 ARG 56 HH21 ARG 56 -7.819 -4.126 -7.255 419 2HH1 ARG 56 HH22 ARG 56 -8.403 -5.391 -8.277 420 1HH2 ARG 56 HH11 ARG 56 -7.287 -7.939 -6.218 421 2HH2 ARG 56 HH12 ARG 56 -8.106 -7.544 -7.692 422 H CYS 57 HN CYS 57 -6.813 -0.202 -3.183 423 HA CYS 57 HA CYS 57 -4.858 1.445 -2.282 424 1HB CYS 57 HB2 CYS 57 -7.756 2.167 -2.735 425 2HB CYS 57 HB1 CYS 57 -6.513 3.384 -2.441 426 H GLU 58 HN GLU 58 -7.984 1.291 -0.429 427 HA GLU 58 HA GLU 58 -7.517 2.924 1.681 428 1HB GLU 58 HB2 GLU 58 -9.115 0.653 1.263 429 2HB GLU 58 HB1 GLU 58 -8.263 0.347 2.778 430 1HG GLU 58 HG2 GLU 58 -8.976 2.561 3.622 431 2HG GLU 58 HG1 GLU 58 -9.850 2.846 2.116 432 H ALA 59 HN ALA 59 -6.180 -0.426 1.628 433 HA ALA 59 HA ALA 59 -4.795 -0.591 3.957 434 1HB ALA 59 HB1 ALA 59 -4.666 -2.137 1.894 435 2HB ALA 59 HB3 ALA 59 -3.306 -1.131 1.396 436 3HB ALA 59 HB2 ALA 59 -3.233 -2.024 2.915 437 H VAL 60 HN VAL 60 -3.485 1.131 1.138 438 HA VAL 60 HA VAL 60 -1.139 2.126 2.325 439 HB VAL 60 HB VAL 60 -2.857 3.740 0.430 440 1HG1 VAL 60 HG12 VAL 60 -0.134 3.862 1.462 441 2HG1 VAL 60 HG11 VAL 60 -0.160 3.801 -0.300 442 3HG1 VAL 60 HG13 VAL 60 -1.038 5.070 0.551 443 1HG2 VAL 60 HG22 VAL 60 -1.414 1.161 0.026 444 2HG2 VAL 60 HG21 VAL 60 -2.836 1.793 -0.801 445 3HG2 VAL 60 HG23 VAL 60 -1.231 2.382 -1.233 446 H ARG 61 HN ARG 61 -4.367 3.653 2.186 447 HA ARG 61 HA ARG 61 -3.802 5.972 3.674 448 1HB ARG 61 HB2 ARG 61 -6.202 4.399 3.017 449 2HB ARG 61 HB1 ARG 61 -6.338 5.314 4.520 450 1HG ARG 61 HG2 ARG 61 -5.472 7.330 3.234 451 2HG ARG 61 HG1 ARG 61 -5.691 6.381 1.763 452 1HD ARG 61 HD2 ARG 61 -7.638 7.925 2.514 453 2HD ARG 61 HD1 ARG 61 -8.030 6.273 2.036 454 HE ARG 61 HE ARG 61 -8.372 5.723 4.372 455 1HH1 ARG 61 HH11 ARG 61 -6.489 8.459 4.508 456 2HH1 ARG 61 HH12 ARG 61 -7.428 9.280 5.709 457 1HH2 ARG 61 HH21 ARG 61 -10.045 7.007 5.597 458 2HH2 ARG 61 HH22 ARG 61 -9.442 8.458 6.327 459 H ILE 62 HN ILE 62 -4.249 2.667 4.789 460 HA ILE 62 HA ILE 62 -4.497 3.417 7.601 461 HB ILE 62 HB ILE 62 -4.126 0.820 6.109 462 1HG1 ILE 62 HG12 ILE 62 -6.227 1.819 8.056 463 2HG1 ILE 62 HG11 ILE 62 -6.378 1.856 6.299 464 1HG2 ILE 62 HG22 ILE 62 -3.571 1.392 8.980 465 2HG2 ILE 62 HG21 ILE 62 -4.494 -0.068 8.621 466 3HG2 ILE 62 HG23 ILE 62 -2.887 0.152 7.929 467 1HD1 ILE 62 HD11 ILE 62 -5.588 -0.784 7.128 468 2HD1 ILE 62 HD13 ILE 62 -7.017 -0.291 8.036 469 3HD1 ILE 62 HD12 ILE 62 -7.049 -0.290 6.273 470 H LEU 63 HN LEU 63 -1.837 2.600 5.436 471 HA LEU 63 HA LEU 63 0.036 2.261 7.640 472 1HB LEU 63 HB2 LEU 63 0.238 1.309 5.236 473 2HB LEU 63 HB1 LEU 63 0.832 2.914 4.806 474 HG LEU 63 HG LEU 63 2.499 2.666 6.723 475 1HD1 LEU 63 HD13 LEU 63 1.160 0.728 7.728 476 2HD1 LEU 63 HD12 LEU 63 1.842 -0.274 6.445 477 3HD1 LEU 63 HD11 LEU 63 2.905 0.494 7.624 478 1HD2 LEU 63 HD23 LEU 63 2.752 2.103 4.121 479 2HD2 LEU 63 HD22 LEU 63 4.060 1.785 5.261 480 3HD2 LEU 63 HD21 LEU 63 2.997 0.474 4.751 481 H MET 64 HN MET 64 -0.715 4.884 5.356 482 HA MET 64 HA MET 64 1.262 6.656 6.564 483 1HB MET 64 HB2 MET 64 0.459 6.781 4.153 484 2HB MET 64 HB1 MET 64 -1.059 7.440 4.770 485 1HG MET 64 HG2 MET 64 0.284 9.337 4.234 486 2HG MET 64 HG1 MET 64 0.373 9.183 5.989 487 1HE MET 64 HE3 MET 64 1.516 7.875 2.844 488 2HE MET 64 HE2 MET 64 3.025 8.757 2.627 489 3HE MET 64 HE1 MET 64 3.063 7.081 3.170 490 H ASP 65 HN ASP 65 -2.335 6.551 6.551 491 HA ASP 65 HA ASP 65 -2.411 8.628 8.613 492 1HB ASP 65 HB2 ASP 65 -4.598 7.077 7.185 493 2HB ASP 65 HB1 ASP 65 -4.943 8.007 8.641 494 H GLY 66 HN GLY 66 -2.250 5.166 8.588 495 1HA GLY 66 HA2 GLY 66 -1.819 3.829 10.501 496 2HA GLY 66 HA1 GLY 66 -2.241 5.202 11.525 497 H VAL 67 HN VAL 67 -3.185 2.356 11.534 498 HA VAL 67 HA VAL 67 -6.116 2.869 11.229 499 HB VAL 67 HB VAL 67 -5.481 1.100 9.732 500 1HG1 VAL 67 HG13 VAL 67 -4.005 0.000 12.137 501 2HG1 VAL 67 HG12 VAL 67 -4.310 -0.946 10.681 502 3HG1 VAL 67 HG11 VAL 67 -3.312 0.506 10.596 503 1HG2 VAL 67 HG23 VAL 67 -7.538 0.722 11.060 504 2HG2 VAL 67 HG22 VAL 67 -6.737 -0.799 10.667 505 3HG2 VAL 67 HG21 VAL 67 -6.584 -0.113 12.285 506 H VAL 68 HN VAL 68 -7.481 1.809 12.880 507 HA VAL 68 HA VAL 68 -6.027 1.586 15.477 508 HB VAL 68 HB VAL 68 -8.718 2.731 14.762 509 1HG1 VAL 68 HG13 VAL 68 -9.069 1.081 16.607 510 2HG1 VAL 68 HG12 VAL 68 -7.832 1.913 17.550 511 3HG1 VAL 68 HG11 VAL 68 -9.330 2.744 17.132 512 1HG2 VAL 68 HG22 VAL 68 -6.150 3.612 15.964 513 2HG2 VAL 68 HG21 VAL 68 -7.278 4.505 14.946 514 3HG2 VAL 68 HG23 VAL 68 -7.610 4.308 16.667 515 H THR 69 HN THR 69 -6.918 0.086 17.026 516 HA THR 69 HA THR 69 -8.235 -2.259 15.736 517 HB THR 69 HB THR 69 -7.029 -3.581 17.540 518 HG1 THR 69 HG1 THR 69 -6.499 -1.166 18.396 519 1HG2 THR 69 HG22 THR 69 -6.137 -2.606 15.061 520 2HG2 THR 69 HG21 THR 69 -4.768 -2.421 16.156 521 3HG2 THR 69 HG23 THR 69 -5.513 -4.004 15.936 522 H SER 70 HN SER 70 -9.585 -3.538 17.179 523 HA SER 70 HA SER 70 -11.462 -1.976 18.627 524 1HB SER 70 HB2 SER 70 -11.798 -4.278 17.555 525 2HB SER 70 HB1 SER 70 -11.046 -4.940 19.003 526 HG SER 70 HG SER 70 -13.340 -3.262 18.900 527 H SER 71 HN SER 71 -8.667 -3.798 19.659 528 HA SER 71 HA SER 71 -9.198 -3.721 22.479 529 1HB SER 71 HB2 SER 71 -6.615 -3.944 22.593 530 2HB SER 71 HB1 SER 71 -7.523 -5.249 21.835 531 HG SER 71 HG SER 71 -5.591 -3.860 20.780 532 H GLY 72 HN GLY 72 -8.305 -1.288 20.260 533 1HA GLY 72 HA2 GLY 72 -8.350 1.067 20.915 534 2HA GLY 72 HA1 GLY 72 -7.822 0.576 22.530 535 H GLN 73 HN GLN 73 -6.133 -1.201 20.201 536 HA GLN 73 HA GLN 73 -3.712 0.435 20.707 537 1HB GLN 73 HB2 GLN 73 -4.067 -2.264 19.365 538 2HB GLN 73 HB1 GLN 73 -2.516 -1.500 19.716 539 1HG GLN 73 HG2 GLN 73 -4.365 -1.685 22.017 540 2HG GLN 73 HG1 GLN 73 -3.771 -3.231 21.409 541 1HE2 GLN 73 HE22 GLN 73 -1.353 -1.422 23.845 542 2HE2 GLN 73 HE21 GLN 73 -3.049 -1.485 23.896 543 H HIS 74 HN HIS 74 -2.309 1.067 18.879 544 HA HIS 74 HA HIS 74 -3.877 1.450 16.366 545 1HB HIS 74 HB2 HIS 74 -1.798 3.161 17.727 546 2HB HIS 74 HB1 HIS 74 -2.239 3.390 16.048 547 HD1 HIS 74 HD1 HIS 74 -3.421 5.654 16.404 548 HD2 HIS 74 HD2 HIS 74 -5.003 2.586 18.740 549 HE1 HIS 74 HE1 HIS 74 -5.571 6.546 17.399 550 H GLU 75 HN GLU 75 -2.607 1.301 14.377 551 HA GLU 75 HA GLU 75 0.053 0.017 14.684 552 1HB GLU 75 HB2 GLU 75 -1.957 -1.169 12.791 553 2HB GLU 75 HB1 GLU 75 -0.487 -1.892 13.446 554 1HG GLU 75 HG2 GLU 75 -1.764 -1.469 15.756 555 2HG GLU 75 HG1 GLU 75 -3.174 -1.604 14.705 556 H GLY 76 HN GLY 76 0.703 -0.559 12.166 557 1HA GLY 76 HA2 GLY 76 1.594 0.506 10.270 558 2HA GLY 76 HA1 GLY 76 -0.044 1.137 10.067 559 H ARG 77 HN ARG 77 0.590 3.224 9.430 560 HA ARG 77 HA ARG 77 1.279 5.449 9.752 561 1HB ARG 77 HB2 ARG 77 -0.151 4.708 11.962 562 2HB ARG 77 HB1 ARG 77 1.371 5.227 12.689 563 1HG ARG 77 HG2 ARG 77 0.766 7.129 10.686 564 2HG ARG 77 HG1 ARG 77 -0.735 6.847 11.569 565 1HD ARG 77 HD2 ARG 77 1.303 6.961 13.522 566 2HD ARG 77 HD1 ARG 77 1.614 8.300 12.416 567 HE ARG 77 HE ARG 77 -0.632 9.153 12.921 568 1HH1 ARG 77 HH21 ARG 77 -2.590 7.668 13.821 569 2HH1 ARG 77 HH22 ARG 77 -2.380 7.372 15.514 570 1HH2 ARG 77 HH11 ARG 77 0.974 8.256 15.521 571 2HH2 ARG 77 HH12 ARG 77 -0.360 7.705 16.478 572 H LEU 78 HN LEU 78 3.296 3.054 10.016 573 HA LEU 78 HA LEU 78 5.386 4.221 11.704 574 1HB LEU 78 HB2 LEU 78 4.950 1.688 10.264 575 2HB LEU 78 HB1 LEU 78 6.624 2.248 10.244 576 HG LEU 78 HG LEU 78 5.623 2.670 12.874 577 1HD1 LEU 78 HD11 LEU 78 3.944 0.885 12.034 578 2HD1 LEU 78 HD13 LEU 78 5.317 -0.221 12.064 579 3HD1 LEU 78 HD12 LEU 78 4.786 0.565 13.551 580 1HD2 LEU 78 HD21 LEU 78 7.596 0.751 11.612 581 2HD2 LEU 78 HD23 LEU 78 7.944 2.264 12.449 582 3HD2 LEU 78 HD22 LEU 78 7.369 0.866 13.357 583 H LEU 79 HN LEU 79 4.338 4.675 8.479 584 HA LEU 79 HA LEU 79 6.658 5.023 6.983 585 1HB LEU 79 HB2 LEU 79 3.948 6.080 6.927 586 2HB LEU 79 HB1 LEU 79 5.116 7.284 6.377 587 HG LEU 79 HG LEU 79 4.279 5.835 4.523 588 1HD1 LEU 79 HD12 LEU 79 7.198 5.694 5.306 589 2HD1 LEU 79 HD11 LEU 79 6.607 5.132 3.742 590 3HD1 LEU 79 HD13 LEU 79 6.430 6.827 4.195 591 1HD2 LEU 79 HD22 LEU 79 5.484 3.716 6.302 592 2HD2 LEU 79 HD21 LEU 79 3.900 3.731 5.528 593 3HD2 LEU 79 HD23 LEU 79 5.351 3.468 4.561 594 H GLN 80 HN GLN 80 8.461 5.833 8.064 595 HA GLN 80 HA GLN 80 8.258 8.689 8.900 596 1HB GLN 80 HB2 GLN 80 9.676 6.470 10.408 597 2HB GLN 80 HB1 GLN 80 9.805 8.187 10.791 598 1HG GLN 80 HG2 GLN 80 7.042 7.661 10.588 599 2HG GLN 80 HG1 GLN 80 7.717 6.322 11.518 600 1HE2 GLN 80 HE22 GLN 80 7.277 9.872 13.312 601 2HE2 GLN 80 HE21 GLN 80 6.555 9.480 11.828 602 H ASP 81 HN ASP 81 10.544 9.617 9.125 603 HA ASP 81 HA ASP 81 11.899 9.307 6.631 604 1HB ASP 81 HB2 ASP 81 12.780 10.645 9.210 605 2HB ASP 81 HB1 ASP 81 13.618 10.797 7.664 606 H LEU 82 HN LEU 82 12.925 7.450 6.160 607 HA LEU 82 HA LEU 82 14.387 5.889 8.165 608 1HB LEU 82 HB2 LEU 82 13.826 5.655 5.210 609 2HB LEU 82 HB1 LEU 82 15.079 4.660 5.928 610 HG LEU 82 HG LEU 82 12.294 4.794 7.088 611 1HD1 LEU 82 HD13 LEU 82 13.324 3.301 4.719 612 2HD1 LEU 82 HD12 LEU 82 12.288 2.416 5.839 613 3HD1 LEU 82 HD11 LEU 82 11.692 3.880 5.058 614 1HD2 LEU 82 HD23 LEU 82 14.133 3.882 8.490 615 2HD2 LEU 82 HD22 LEU 82 12.958 2.635 8.065 616 3HD2 LEU 82 HD21 LEU 82 14.505 2.716 7.220 617 HA PRO 83 HA PRO 83 18.285 7.764 7.481 618 1HB PRO 83 HB2 PRO 83 20.014 5.671 6.964 619 2HB PRO 83 HB1 PRO 83 19.413 6.091 8.577 620 1HG PRO 83 HG2 PRO 83 18.561 3.861 6.771 621 2HG PRO 83 HG1 PRO 83 18.581 3.926 8.542 622 1HD PRO 83 HD2 PRO 83 16.294 4.219 6.992 623 2HD PRO 83 HD1 PRO 83 16.452 4.812 8.655 624 H GLY 84 HN GLY 84 18.041 8.970 5.627 625 1HA GLY 84 HA2 GLY 84 18.891 9.554 3.465 626 2HA GLY 84 HA1 GLY 84 19.186 7.845 3.141 627 H CYS 85 HN CYS 85 16.074 8.508 4.499 628 HA CYS 85 HA CYS 85 14.808 8.805 1.835 629 1HB CYS 85 HB2 CYS 85 13.816 6.623 3.644 630 2HB CYS 85 HB1 CYS 85 13.573 6.822 1.910 631 HA PRO 86 HA PRO 86 12.687 11.078 5.214 632 1HB PRO 86 HB2 PRO 86 12.018 13.262 3.671 633 2HB PRO 86 HB1 PRO 86 13.536 13.104 4.551 634 1HG PRO 86 HG2 PRO 86 13.025 12.825 1.631 635 2HG PRO 86 HG1 PRO 86 14.516 13.295 2.465 636 1HD PRO 86 HD2 PRO 86 13.984 10.762 1.355 637 2HD PRO 86 HD1 PRO 86 15.289 11.134 2.505 638 H ARG 87 HN ARG 87 10.383 11.706 5.439 639 HA ARG 87 HA ARG 87 8.496 9.992 4.379 640 1HB ARG 87 HB2 ARG 87 8.111 12.940 4.992 641 2HB ARG 87 HB1 ARG 87 6.822 11.746 4.867 642 1HG ARG 87 HG2 ARG 87 7.629 10.549 6.763 643 2HG ARG 87 HG1 ARG 87 9.132 11.469 6.780 644 1HD ARG 87 HD2 ARG 87 7.389 12.175 8.509 645 2HD ARG 87 HD1 ARG 87 8.019 13.463 7.482 646 HE ARG 87 HE ARG 87 5.714 12.440 6.202 647 1HH1 ARG 87 HH21 ARG 87 5.280 12.528 9.351 648 2HH1 ARG 87 HH22 ARG 87 4.365 13.994 9.452 649 1HH2 ARG 87 HH11 ARG 87 5.112 14.996 6.218 650 2HH2 ARG 87 HH12 ARG 87 4.269 15.391 7.678 651 H GLN 88 HN GLN 88 9.947 12.817 2.995 652 HA GLN 88 HA GLN 88 8.169 13.462 0.910 653 1HB GLN 88 HB2 GLN 88 10.471 14.513 1.646 654 2HB GLN 88 HB1 GLN 88 11.111 13.494 0.355 655 1HG GLN 88 HG2 GLN 88 10.542 15.208 -1.019 656 2HG GLN 88 HG1 GLN 88 8.892 14.609 -0.838 657 1HE2 GLN 88 HE22 GLN 88 7.907 17.229 1.396 658 2HE2 GLN 88 HE21 GLN 88 7.554 15.641 0.910 659 H VAL 89 HN VAL 89 10.928 11.151 0.647 660 HA VAL 89 HA VAL 89 10.330 10.406 -2.038 661 HB VAL 89 HB VAL 89 11.741 8.863 0.147 662 1HG1 VAL 89 HG11 VAL 89 10.952 7.938 -2.315 663 2HG1 VAL 89 HG13 VAL 89 12.556 8.578 -2.669 664 3HG1 VAL 89 HG12 VAL 89 12.354 7.340 -1.428 665 1HG2 VAL 89 HG22 VAL 89 12.587 11.153 -0.279 666 2HG2 VAL 89 HG21 VAL 89 13.747 9.898 -0.710 667 3HG2 VAL 89 HG23 VAL 89 12.824 10.715 -1.971 668 H GLN 90 HN GLN 90 9.377 9.004 1.079 669 HA GLN 90 HA GLN 90 8.032 6.721 -0.003 670 1HB GLN 90 HB2 GLN 90 7.578 8.282 2.558 671 2HB GLN 90 HB1 GLN 90 6.763 6.763 2.184 672 1HG GLN 90 HG2 GLN 90 8.574 5.889 3.294 673 2HG GLN 90 HG1 GLN 90 9.303 6.013 1.693 674 1HE2 GLN 90 HE22 GLN 90 11.666 8.420 2.700 675 2HE2 GLN 90 HE21 GLN 90 11.128 7.350 1.496 676 H ARG 91 HN ARG 91 7.157 10.081 0.293 677 HA ARG 91 HA ARG 91 4.315 9.639 -0.211 678 1HB ARG 91 HB2 ARG 91 5.863 11.779 0.714 679 2HB ARG 91 HB1 ARG 91 5.258 12.312 -0.857 680 1HG ARG 91 HG2 ARG 91 3.452 12.909 0.450 681 2HG ARG 91 HG1 ARG 91 2.993 11.246 0.083 682 1HD ARG 91 HD2 ARG 91 4.444 10.706 2.229 683 2HD ARG 91 HD1 ARG 91 4.097 12.389 2.624 684 HE ARG 91 HE ARG 91 1.934 10.386 2.102 685 1HH1 ARG 91 HH21 ARG 91 0.209 12.284 2.407 686 2HH1 ARG 91 HH22 ARG 91 0.219 12.869 4.038 687 1HH2 ARG 91 HH11 ARG 91 3.300 11.478 4.801 688 2HH2 ARG 91 HH12 ARG 91 1.967 12.413 5.391 689 H ALA 92 HN ALA 92 7.176 10.371 -2.165 690 HA ALA 92 HA ALA 92 5.690 11.009 -4.565 691 1HB ALA 92 HB2 ALA 92 8.431 10.918 -3.762 692 2HB ALA 92 HB1 ALA 92 8.258 9.933 -5.215 693 3HB ALA 92 HB3 ALA 92 7.750 11.622 -5.229 694 H PHE 93 HN PHE 93 7.307 8.053 -3.387 695 HA PHE 93 HA PHE 93 6.426 6.485 -5.685 696 1HB PHE 93 HB2 PHE 93 8.474 5.858 -4.533 697 2HB PHE 93 HB1 PHE 93 7.597 5.678 -3.013 698 HD1 PHE 93 HD1 PHE 93 5.664 3.956 -2.945 699 HD2 PHE 93 HD2 PHE 93 8.661 4.051 -6.019 700 HE1 PHE 93 HE1 PHE 93 5.124 1.611 -3.545 701 HE2 PHE 93 HE2 PHE 93 8.123 1.707 -6.620 702 HZ PHE 93 HZ PHE 93 6.353 0.487 -5.383 703 H ALA 94 HN ALA 94 5.157 7.246 -2.531 704 HA ALA 94 HA ALA 94 3.486 5.174 -1.878 705 1HB ALA 94 HB1 ALA 94 3.677 7.864 -1.182 706 2HB ALA 94 HB3 ALA 94 2.012 7.681 -1.736 707 3HB ALA 94 HB2 ALA 94 2.624 6.665 -0.430 708 HA PRO 95 HA PRO 95 0.056 6.639 -4.894 709 1HB PRO 95 HB2 PRO 95 0.786 8.449 -6.836 710 2HB PRO 95 HB1 PRO 95 0.113 8.895 -5.258 711 1HG PRO 95 HG2 PRO 95 2.940 9.056 -6.212 712 2HG PRO 95 HG1 PRO 95 2.102 10.051 -5.008 713 1HD PRO 95 HD2 PRO 95 3.887 7.968 -4.427 714 2HD PRO 95 HD1 PRO 95 2.736 8.675 -3.280 715 H LYS 96 HN LYS 96 2.578 4.888 -5.415 716 HA LYS 96 HA LYS 96 1.899 4.313 -8.264 717 1HB LYS 96 HB2 LYS 96 4.367 5.206 -7.409 718 2HB LYS 96 HB1 LYS 96 4.577 3.454 -7.402 719 1HG LYS 96 HG2 LYS 96 4.965 3.670 -9.626 720 2HG LYS 96 HG1 LYS 96 3.218 3.874 -9.766 721 1HD LYS 96 HD2 LYS 96 4.231 5.740 -10.898 722 2HD LYS 96 HD1 LYS 96 3.577 6.353 -9.378 723 1HE LYS 96 HE2 LYS 96 6.078 5.602 -8.590 724 2HE LYS 96 HE1 LYS 96 6.390 6.098 -10.253 725 1HZ LYS 96 HZ1 LYS 96 4.785 7.781 -8.436 726 2HZ LYS 96 HZ3 LYS 96 6.478 7.868 -8.434 727 3HZ LYS 96 HZ2 LYS 96 5.611 8.231 -9.850 728 H LEU 97 HN LEU 97 0.863 3.239 -5.689 729 HA LEU 97 HA LEU 97 1.994 0.558 -5.406 730 1HB LEU 97 HB2 LEU 97 -0.038 2.201 -4.054 731 2HB LEU 97 HB1 LEU 97 -0.435 0.482 -4.121 732 HG LEU 97 HG LEU 97 2.358 1.232 -3.377 733 1HD1 LEU 97 HD13 LEU 97 0.443 2.597 -2.087 734 2HD1 LEU 97 HD12 LEU 97 0.350 1.089 -1.178 735 3HD1 LEU 97 HD11 LEU 97 1.870 1.979 -1.254 736 1HD2 LEU 97 HD22 LEU 97 0.989 -1.119 -3.591 737 2HD2 LEU 97 HD21 LEU 97 2.392 -0.895 -2.546 738 3HD2 LEU 97 HD23 LEU 97 0.764 -0.763 -1.879 739 H VAL 98 HN VAL 98 -1.475 1.299 -5.920 740 HA VAL 98 HA VAL 98 -1.759 -1.146 -7.483 741 HB VAL 98 HB VAL 98 -4.075 -0.722 -7.404 742 1HG1 VAL 98 HG12 VAL 98 -2.893 -1.054 -5.191 743 2HG1 VAL 98 HG11 VAL 98 -2.987 0.692 -4.965 744 3HG1 VAL 98 HG13 VAL 98 -4.465 -0.263 -5.081 745 1HG2 VAL 98 HG22 VAL 98 -3.196 2.064 -7.591 746 2HG2 VAL 98 HG21 VAL 98 -4.740 1.349 -8.054 747 3HG2 VAL 98 HG23 VAL 98 -4.465 1.847 -6.385 748 H THR 99 HN THR 99 -0.071 1.086 -8.626 749 HA THR 99 HA THR 99 -1.685 1.749 -11.023 750 HB THR 99 HB THR 99 -0.157 3.495 -11.469 751 HG1 THR 99 HG1 THR 99 1.667 2.412 -9.606 752 1HG2 THR 99 HG23 THR 99 -1.432 3.895 -9.383 753 2HG2 THR 99 HG22 THR 99 -0.109 3.186 -8.457 754 3HG2 THR 99 HG21 THR 99 0.146 4.684 -9.352 755 H GLU 100 HN GLU 100 -0.284 1.570 -13.179 756 HA GLU 100 HA GLU 100 0.454 -1.156 -13.497 757 1HB GLU 100 HB2 GLU 100 0.014 0.948 -15.188 758 2HB GLU 100 HB1 GLU 100 1.754 0.712 -15.360 759 1HG GLU 100 HG2 GLU 100 1.200 -1.799 -15.605 760 2HG GLU 100 HG1 GLU 100 -0.462 -1.272 -15.870 761 H VAL 101 HN VAL 101 2.285 1.026 -11.677 762 HA VAL 101 HA VAL 101 4.851 -0.098 -12.648 763 HB VAL 101 HB VAL 101 4.558 1.966 -10.477 764 1HG1 VAL 101 HG12 VAL 101 6.666 1.231 -12.522 765 2HG1 VAL 101 HG11 VAL 101 6.745 2.697 -11.544 766 3HG1 VAL 101 HG13 VAL 101 6.784 1.114 -10.767 767 1HG2 VAL 101 HG23 VAL 101 4.208 2.268 -13.452 768 2HG2 VAL 101 HG22 VAL 101 3.292 3.019 -12.146 769 3HG2 VAL 101 HG21 VAL 101 4.923 3.579 -12.514 770 H GLU 102 HN GLU 102 2.544 -1.025 -10.439 771 HA GLU 102 HA GLU 102 4.642 -2.393 -8.834 772 1HB GLU 102 HB2 GLU 102 2.627 -0.462 -7.842 773 2HB GLU 102 HB1 GLU 102 2.817 -1.931 -6.884 774 1HG GLU 102 HG2 GLU 102 5.411 -0.956 -7.659 775 2HG GLU 102 HG1 GLU 102 4.500 0.348 -6.896 776 H CYS 103 HN CYS 103 1.252 -2.458 -7.913 777 HA CYS 103 HA CYS 103 0.996 -5.165 -9.171 778 1HB CYS 103 HB2 CYS 103 0.262 -4.347 -6.341 779 2HB CYS 103 HB1 CYS 103 -0.119 -5.909 -7.070 780 H ASN 104 HN ASN 104 -0.033 -2.651 -10.151 781 HA ASN 104 HA ASN 104 -2.424 -1.624 -9.621 782 1HB ASN 104 HB2 ASN 104 -1.288 -1.210 -11.717 783 2HB ASN 104 HB1 ASN 104 -1.662 -2.832 -12.280 784 1HD2 ASN 104 HD22 ASN 104 -4.276 -0.817 -13.839 785 2HD2 ASN 104 HD21 ASN 104 -2.633 -1.186 -14.051 786 H LEU 105 HN LEU 105 -2.477 -4.670 -11.535 787 HA LEU 105 HA LEU 105 -4.297 -6.178 -11.755 788 1HB LEU 105 HB2 LEU 105 -4.020 -5.839 -8.754 789 2HB LEU 105 HB1 LEU 105 -5.004 -7.093 -9.509 790 HG LEU 105 HG LEU 105 -2.168 -6.809 -10.411 791 1HD1 LEU 105 HD13 LEU 105 -3.084 -7.728 -7.704 792 2HD1 LEU 105 HD12 LEU 105 -1.745 -8.572 -8.482 793 3HD1 LEU 105 HD11 LEU 105 -1.623 -6.844 -8.146 794 1HD2 LEU 105 HD21 LEU 105 -4.215 -8.501 -11.033 795 2HD2 LEU 105 HD23 LEU 105 -2.512 -8.934 -11.186 796 3HD2 LEU 105 HD22 LEU 105 -3.417 -9.415 -9.752 797 H ALA 106 HN ALA 106 -5.098 -3.342 -11.895 798 HA ALA 106 HA ALA 106 -7.037 -2.026 -11.816 799 1HB ALA 106 HB2 ALA 106 -8.007 -4.866 -11.902 800 2HB ALA 106 HB1 ALA 106 -9.183 -3.591 -11.587 801 3HB ALA 106 HB3 ALA 106 -8.238 -3.570 -13.075 802 H THR 107 HN THR 107 -8.905 -1.413 -10.305 803 HA THR 107 HA THR 107 -8.409 -2.415 -7.529 804 HB THR 107 HB THR 107 -8.170 -0.249 -6.674 805 HG1 THR 107 HG1 THR 107 -9.447 1.265 -7.369 806 1HG2 THR 107 HG23 THR 107 -6.293 -0.704 -8.260 807 2HG2 THR 107 HG22 THR 107 -7.208 0.109 -9.529 808 3HG2 THR 107 HG21 THR 107 -6.660 1.015 -8.119 809 H ILE 108 HN ILE 108 -10.357 -0.297 -6.623 810 HA ILE 108 HA ILE 108 -12.793 -1.798 -6.864 811 HB ILE 108 HB ILE 108 -12.293 -0.385 -4.914 812 1HG1 ILE 108 HG12 ILE 108 -14.552 1.165 -5.982 813 2HG1 ILE 108 HG11 ILE 108 -14.722 -0.573 -6.229 814 1HG2 ILE 108 HG23 ILE 108 -11.093 1.361 -6.368 815 2HG2 ILE 108 HG22 ILE 108 -12.692 2.002 -6.734 816 3HG2 ILE 108 HG21 ILE 108 -12.106 1.995 -5.072 817 1HD1 ILE 108 HD11 ILE 108 -13.734 0.175 -3.555 818 2HD1 ILE 108 HD13 ILE 108 -15.370 0.731 -3.903 819 3HD1 ILE 108 HD12 ILE 108 -14.982 -0.985 -4.009 820 H HIS 109 HN HIS 109 -11.565 1.146 -8.434 821 HA HIS 109 HA HIS 109 -14.062 1.501 -9.952 822 1HB HIS 109 HB2 HIS 109 -12.405 3.233 -11.152 823 2HB HIS 109 HB1 HIS 109 -13.263 3.598 -9.660 824 HD1 HIS 109 HD1 HIS 109 -9.963 1.882 -10.562 825 HD2 HIS 109 HD2 HIS 109 -11.511 4.514 -7.726 826 HE1 HIS 109 HE1 HIS 109 -8.048 2.576 -9.074 827 H GLY 110 HN GLY 110 -12.298 -0.977 -10.288 828 1HA GLY 110 HA2 GLY 110 -11.394 -2.247 -12.052 829 2HA GLY 110 HA1 GLY 110 -12.780 -1.594 -12.925 830 H GLY 111 HN GLY 111 -9.688 -0.203 -11.760 831 1HA GLY 111 HA2 GLY 111 -8.581 0.163 -14.355 832 2HA GLY 111 HA1 GLY 111 -9.448 1.634 -13.912 833 HA PRO 112 HA PRO 112 -5.193 1.373 -11.841 834 1HB PRO 112 HB2 PRO 112 -3.718 2.751 -13.721 835 2HB PRO 112 HB1 PRO 112 -3.837 0.985 -13.674 836 1HG PRO 112 HG2 PRO 112 -5.128 2.912 -15.545 837 2HG PRO 112 HG1 PRO 112 -4.704 1.211 -15.803 838 1HD PRO 112 HD2 PRO 112 -7.292 2.198 -15.254 839 2HD PRO 112 HD1 PRO 112 -6.785 0.498 -15.163 840 H PHE 113 HN PHE 113 -6.656 2.935 -10.602 841 HA PHE 113 HA PHE 113 -5.496 5.520 -10.407 842 1HB PHE 113 HB2 PHE 113 -7.222 6.961 -11.455 843 2HB PHE 113 HB1 PHE 113 -6.339 6.000 -12.624 844 HD1 PHE 113 HD1 PHE 113 -8.382 3.623 -11.091 845 HD2 PHE 113 HD2 PHE 113 -8.673 7.028 -13.699 846 HE1 PHE 113 HE1 PHE 113 -10.516 2.762 -11.999 847 HE2 PHE 113 HE2 PHE 113 -10.809 6.158 -14.590 848 HZ PHE 113 HZ PHE 113 -11.732 4.021 -13.738 849 H CYS 114 HN CYS 114 -5.927 5.303 -8.093 850 HA CYS 114 HA CYS 114 -8.817 5.671 -7.433 851 1HB CYS 114 HB2 CYS 114 -8.618 4.373 -5.438 852 2HB CYS 114 HB1 CYS 114 -7.928 3.397 -6.727 853 H LEU 115 HN LEU 115 -8.988 6.608 -5.107 854 HA LEU 115 HA LEU 115 -8.323 8.247 -3.515 855 1HB LEU 115 HB2 LEU 115 -5.868 7.517 -4.479 856 2HB LEU 115 HB1 LEU 115 -5.958 9.196 -5.013 857 HG LEU 115 HG LEU 115 -4.992 9.243 -2.822 858 1HD1 LEU 115 HD11 LEU 115 -7.075 10.745 -3.411 859 2HD1 LEU 115 HD13 LEU 115 -7.875 9.776 -2.173 860 3HD1 LEU 115 HD12 LEU 115 -6.447 10.727 -1.763 861 1HD2 LEU 115 HD22 LEU 115 -7.171 7.255 -2.212 862 2HD2 LEU 115 HD21 LEU 115 -5.442 7.140 -1.884 863 3HD2 LEU 115 HD23 LEU 115 -6.454 8.209 -0.913 864 H SER 116 HN SER 116 -7.664 8.991 -6.947 865 HA SER 116 HA SER 116 -8.469 11.767 -6.678 866 1HB SER 116 HB2 SER 116 -8.347 10.072 -9.190 867 2HB SER 116 HB1 SER 116 -8.348 11.831 -9.111 868 HG SER 116 HG SER 116 -6.358 11.745 -8.079 869 H LEU 117 HN LEU 117 -10.087 8.739 -7.431 870 HA LEU 117 HA LEU 117 -12.498 9.777 -8.525 871 1HB LEU 117 HB2 LEU 117 -11.864 7.282 -6.942 872 2HB LEU 117 HB1 LEU 117 -13.500 7.627 -7.506 873 HG LEU 117 HG LEU 117 -12.266 8.041 -9.814 874 1HD1 LEU 117 HD11 LEU 117 -10.392 6.222 -8.275 875 2HD1 LEU 117 HD13 LEU 117 -10.392 6.360 -10.033 876 3HD1 LEU 117 HD12 LEU 117 -9.994 7.762 -9.039 877 1HD2 LEU 117 HD22 LEU 117 -13.290 5.597 -8.482 878 2HD2 LEU 117 HD21 LEU 117 -13.786 6.342 -10.002 879 3HD2 LEU 117 HD23 LEU 117 -12.346 5.325 -9.947 880 H LEU 118 HN LEU 118 -11.198 10.019 -5.371 881 HA LEU 118 HA LEU 118 -11.999 11.094 -3.467 882 1HB LEU 118 HB2 LEU 118 -14.073 11.910 -5.474 883 2HB LEU 118 HB1 LEU 118 -14.339 12.226 -3.765 884 HG LEU 118 HG LEU 118 -11.826 13.016 -5.262 885 1HD1 LEU 118 HD13 LEU 118 -14.283 14.115 -5.706 886 2HD1 LEU 118 HD12 LEU 118 -13.725 15.094 -4.348 887 3HD1 LEU 118 HD11 LEU 118 -12.770 15.014 -5.829 888 1HD2 LEU 118 HD22 LEU 118 -12.897 13.415 -2.480 889 2HD2 LEU 118 HD21 LEU 118 -11.272 12.959 -2.990 890 3HD2 LEU 118 HD23 LEU 118 -11.821 14.625 -3.180 891 H GLY 119 HN GLY 119 -13.816 8.529 -4.908 892 1HA GLY 119 HA2 GLY 119 -14.970 6.803 -3.802 893 2HA GLY 119 HA1 GLY 119 -14.629 7.618 -2.276 894 H ALA 120 HN ALA 120 -16.779 7.420 -1.507 895 HA ALA 120 HA ALA 120 -18.877 8.836 -3.087 896 1HB ALA 120 HB3 ALA 120 -19.325 6.483 -2.337 897 2HB ALA 120 HB2 ALA 120 -19.216 7.044 -0.668 898 3HB ALA 120 HB1 ALA 120 -20.494 7.653 -1.720 899 H GLY 121 HN GLY 121 -17.670 10.854 -2.299 900 1HA GLY 121 HA2 GLY 121 -17.739 11.582 0.483 901 2HA GLY 121 HA1 GLY 121 -17.544 12.707 -0.862 902 H GLU 122 HN GLU 122 -20.208 11.278 -1.832 903 HA GLU 122 HA GLU 122 -21.951 13.250 -0.445 904 1HB GLU 122 HB2 GLU 122 -21.826 13.160 -2.980 905 2HB GLU 122 HB1 GLU 122 -22.609 11.582 -2.886 906 1HG GLU 122 HG2 GLU 122 -24.632 12.471 -2.288 907 2HG GLU 122 HG1 GLU 122 -23.898 13.771 -1.349 No H/Q in entry = 907 Start of MODEL 15 Raw file had 930 H/Q atoms Start of MODEL 15 1 1H SER 1 HT2 SER 1 -21.098 -6.205 12.222 2 2H SER 1 HT1 SER 1 -19.807 -7.055 11.514 3 3H SER 1 HT3 SER 1 -19.495 -5.758 12.563 4 HA SER 1 HA SER 1 -20.461 -4.202 11.010 5 1HB SER 1 HB2 SER 1 -18.722 -4.293 9.347 6 2HB SER 1 HB1 SER 1 -18.034 -4.907 10.848 7 HG SER 1 HG SER 1 -18.200 -6.118 8.505 8 H VAL 2 HN VAL 2 -22.120 -3.963 9.606 9 HA VAL 2 HA VAL 2 -23.849 -5.874 8.675 10 HB VAL 2 HB VAL 2 -24.229 -4.330 6.663 11 1HG1 VAL 2 HG11 VAL 2 -24.930 -4.113 9.321 12 2HG1 VAL 2 HG13 VAL 2 -24.223 -2.531 8.991 13 3HG1 VAL 2 HG12 VAL 2 -25.578 -3.111 8.022 14 1HG2 VAL 2 HG23 VAL 2 -21.975 -2.878 8.082 15 2HG2 VAL 2 HG22 VAL 2 -21.993 -3.438 6.410 16 3HG2 VAL 2 HG21 VAL 2 -23.041 -2.110 6.906 17 H GLY 3 HN GLY 3 -20.870 -4.868 6.959 18 1HA GLY 3 HA2 GLY 3 -19.842 -7.150 6.032 19 2HA GLY 3 HA1 GLY 3 -21.283 -7.069 5.017 20 H THR 4 HN THR 4 -21.448 -5.369 3.459 21 HA THR 4 HA THR 4 -20.442 -4.168 1.691 22 HB THR 4 HB THR 4 -20.900 -2.421 3.368 23 HG1 THR 4 HG1 THR 4 -19.960 -1.307 1.872 24 1HG2 THR 4 HG23 THR 4 -18.138 -3.162 4.359 25 2HG2 THR 4 HG22 THR 4 -18.984 -1.688 4.831 26 3HG2 THR 4 HG21 THR 4 -19.654 -3.263 5.255 27 H SER 5 HN SER 5 -18.877 -6.504 2.677 28 HA SER 5 HA SER 5 -16.710 -7.395 2.477 29 1HB SER 5 HB2 SER 5 -17.154 -5.536 0.230 30 2HB SER 5 HB1 SER 5 -15.459 -5.891 0.556 31 HG SER 5 HG SER 5 -16.395 -7.421 -0.858 32 H CYS 6 HN CYS 6 -14.239 -6.473 2.174 33 HA CYS 6 HA CYS 6 -12.507 -5.349 3.285 34 1HB CYS 6 HB2 CYS 6 -14.544 -3.118 3.549 35 2HB CYS 6 HB1 CYS 6 -12.788 -2.964 3.621 36 H ILE 7 HN ILE 7 -12.268 -6.527 5.169 37 HA ILE 7 HA ILE 7 -13.610 -5.410 7.576 38 HB ILE 7 HB ILE 7 -14.863 -7.436 6.935 39 1HG1 ILE 7 HG12 ILE 7 -13.041 -7.742 9.341 40 2HG1 ILE 7 HG11 ILE 7 -14.661 -7.044 9.313 41 1HG2 ILE 7 HG23 ILE 7 -12.147 -8.774 7.118 42 2HG2 ILE 7 HG22 ILE 7 -13.681 -9.625 6.932 43 3HG2 ILE 7 HG21 ILE 7 -13.106 -8.555 5.654 44 1HD1 ILE 7 HD11 ILE 7 -14.713 -9.696 8.165 45 2HD1 ILE 7 HD13 ILE 7 -13.979 -9.747 9.767 46 3HD1 ILE 7 HD12 ILE 7 -15.597 -9.076 9.561 47 HA PRO 8 HA PRO 8 -9.423 -5.596 8.948 48 1HB PRO 8 HB2 PRO 8 -9.849 -5.193 11.637 49 2HB PRO 8 HB1 PRO 8 -9.922 -3.909 10.419 50 1HG PRO 8 HG2 PRO 8 -12.158 -5.269 11.849 51 2HG PRO 8 HG1 PRO 8 -12.094 -3.641 11.156 52 1HD PRO 8 HD2 PRO 8 -13.355 -5.882 9.996 53 2HD PRO 8 HD1 PRO 8 -12.984 -4.354 9.171 54 H GLY 9 HN GLY 9 -7.997 -7.240 9.717 55 1HA GLY 9 HA2 GLY 9 -7.320 -9.168 10.895 56 2HA GLY 9 HA1 GLY 9 -8.924 -9.271 11.608 57 H MET 10 HN MET 10 -9.851 -8.960 8.608 58 HA MET 10 HA MET 10 -9.295 -11.766 7.774 59 1HB MET 10 HB2 MET 10 -11.985 -10.402 8.015 60 2HB MET 10 HB1 MET 10 -11.739 -11.852 7.039 61 1HG MET 10 HG2 MET 10 -10.505 -12.494 9.440 62 2HG MET 10 HG1 MET 10 -11.928 -11.582 9.949 63 1HE MET 10 HE1 MET 10 -11.682 -14.339 10.915 64 2HE MET 10 HE3 MET 10 -12.253 -15.694 9.931 65 3HE MET 10 HE2 MET 10 -10.704 -14.935 9.577 66 H ALA 11 HN ALA 11 -8.336 -11.524 5.656 67 HA ALA 11 HA ALA 11 -8.305 -10.864 3.381 68 1HB ALA 11 HB2 ALA 11 -10.848 -10.090 4.017 69 2HB ALA 11 HB1 ALA 11 -10.090 -8.524 3.723 70 3HB ALA 11 HB3 ALA 11 -10.083 -9.759 2.464 71 H ILE 12 HN ILE 12 -8.840 -8.067 5.541 72 HA ILE 12 HA ILE 12 -6.288 -6.912 4.542 73 HB ILE 12 HB ILE 12 -8.360 -5.446 6.176 74 1HG1 ILE 12 HG12 ILE 12 -9.438 -6.481 4.158 75 2HG1 ILE 12 HG11 ILE 12 -9.429 -4.718 4.115 76 1HG2 ILE 12 HG23 ILE 12 -6.123 -4.426 5.869 77 2HG2 ILE 12 HG22 ILE 12 -6.319 -4.544 4.120 78 3HG2 ILE 12 HG21 ILE 12 -7.378 -3.490 5.058 79 1HD1 ILE 12 HD13 ILE 12 -7.332 -6.445 2.772 80 2HD1 ILE 12 HD12 ILE 12 -8.744 -5.793 1.942 81 3HD1 ILE 12 HD11 ILE 12 -7.532 -4.700 2.612 82 HA PRO 13 HA PRO 13 -5.349 -8.376 8.732 83 1HB PRO 13 HB2 PRO 13 -2.665 -8.759 8.335 84 2HB PRO 13 HB1 PRO 13 -3.910 -9.943 7.908 85 1HG PRO 13 HG2 PRO 13 -2.284 -8.233 6.118 86 2HG PRO 13 HG1 PRO 13 -3.172 -9.718 5.742 87 1HD PRO 13 HD2 PRO 13 -3.962 -7.015 5.198 88 2HD PRO 13 HD1 PRO 13 -4.908 -8.494 4.877 89 H HIS 14 HN HIS 14 -3.565 -7.704 10.359 90 HA HIS 14 HA HIS 14 -3.577 -4.823 10.553 91 1HB HIS 14 HB2 HIS 14 -2.242 -6.984 12.226 92 2HB HIS 14 HB1 HIS 14 -2.428 -5.307 12.699 93 HD1 HIS 14 HD1 HIS 14 -4.598 -4.654 13.800 94 HD2 HIS 14 HD2 HIS 14 -4.857 -8.320 11.837 95 HE1 HIS 14 HE1 HIS 14 -6.884 -5.604 14.345 96 H ASN 15 HN ASN 15 -1.671 -3.434 10.454 97 HA ASN 15 HA ASN 15 0.408 -2.762 9.621 98 1HB ASN 15 HB2 ASN 15 0.883 -4.867 11.333 99 2HB ASN 15 HB1 ASN 15 1.668 -5.411 9.849 100 1HD2 ASN 15 HD22 ASN 15 3.481 -2.026 9.974 101 2HD2 ASN 15 HD21 ASN 15 2.179 -2.534 9.011 102 HA PRO 16 HA PRO 16 -0.451 -5.153 5.688 103 1HB PRO 16 HB2 PRO 16 -1.922 -3.218 4.417 104 2HB PRO 16 HB1 PRO 16 -2.643 -4.486 5.423 105 1HG PRO 16 HG2 PRO 16 -2.249 -1.594 6.043 106 2HG PRO 16 HG1 PRO 16 -3.469 -2.720 6.664 107 1HD PRO 16 HD2 PRO 16 -1.143 -1.880 8.044 108 2HD PRO 16 HD1 PRO 16 -2.191 -3.248 8.478 109 H LEU 17 HN LEU 17 0.223 -4.413 3.454 110 HA LEU 17 HA LEU 17 1.856 -3.466 2.069 111 1HB LEU 17 HB2 LEU 17 0.729 -1.126 3.589 112 2HB LEU 17 HB1 LEU 17 2.026 -0.894 2.416 113 HG LEU 17 HG LEU 17 -0.353 -0.648 1.511 114 1HD1 LEU 17 HD11 LEU 17 1.842 -1.280 0.236 115 2HD1 LEU 17 HD13 LEU 17 1.113 -2.883 0.131 116 3HD1 LEU 17 HD12 LEU 17 0.291 -1.493 -0.579 117 1HD2 LEU 17 HD22 LEU 17 -1.278 -2.590 2.772 118 2HD2 LEU 17 HD21 LEU 17 -1.558 -2.728 1.037 119 3HD2 LEU 17 HD23 LEU 17 -0.277 -3.670 1.802 120 H ASP 18 HN ASP 18 3.026 -4.731 4.307 121 HA ASP 18 HA ASP 18 4.975 -2.852 5.452 122 1HB ASP 18 HB2 ASP 18 5.886 -4.816 6.616 123 2HB ASP 18 HB1 ASP 18 4.132 -4.747 6.806 124 H SER 19 HN SER 19 5.056 -5.616 3.225 125 HA SER 19 HA SER 19 7.846 -5.466 2.628 126 1HB SER 19 HB2 SER 19 5.806 -7.149 1.894 127 2HB SER 19 HB1 SER 19 6.076 -6.259 0.399 128 HG SER 19 HG SER 19 7.855 -7.335 0.158 129 H CYS 20 HN CYS 20 5.094 -3.621 1.605 130 HA CYS 20 HA CYS 20 6.281 -2.452 -0.745 131 1HB CYS 20 HB2 CYS 20 4.034 -1.478 1.032 132 2HB CYS 20 HB1 CYS 20 4.437 -0.809 -0.550 133 H ARG 21 HN ARG 21 5.835 -1.251 2.602 134 HA ARG 21 HA ARG 21 7.165 1.214 2.209 135 1HB ARG 21 HB2 ARG 21 7.048 1.502 4.503 136 2HB ARG 21 HB1 ARG 21 5.805 0.278 4.265 137 1HG ARG 21 HG2 ARG 21 7.367 -1.487 4.897 138 2HG ARG 21 HG1 ARG 21 8.678 -0.314 5.031 139 1HD ARG 21 HD2 ARG 21 7.004 0.888 6.689 140 2HD ARG 21 HD1 ARG 21 6.321 -0.730 6.830 141 HE ARG 21 HE ARG 21 9.243 -0.362 7.262 142 1HH1 ARG 21 HH21 ARG 21 8.372 -2.987 7.931 143 2HH1 ARG 21 HH22 ARG 21 7.903 -2.894 9.595 144 1HH2 ARG 21 HH11 ARG 21 7.645 0.564 9.605 145 2HH2 ARG 21 HH12 ARG 21 7.491 -0.884 10.543 146 H TRP 22 HN TRP 22 8.514 -1.872 3.478 147 HA TRP 22 HA TRP 22 11.188 -0.893 3.624 148 1HB TRP 22 HB2 TRP 22 10.106 -3.687 3.413 149 2HB TRP 22 HB1 TRP 22 11.832 -3.375 3.300 150 HD1 TRP 22 HD1 TRP 22 9.469 -4.221 5.817 151 HE1 TRP 22 HE1 TRP 22 10.227 -3.417 8.161 152 HE3 TRP 22 HE3 TRP 22 13.036 -1.032 4.396 153 HZ2 TRP 22 HZ2 TRP 22 12.178 -1.582 9.257 154 HZ3 TRP 22 HZ3 TRP 22 14.378 0.273 6.056 155 HH2 TRP 22 HH2 TRP 22 13.946 -0.009 8.488 156 H TYR 23 HN TYR 23 9.307 -2.251 0.978 157 HA TYR 23 HA TYR 23 11.442 -2.631 -0.864 158 1HB TYR 23 HB2 TYR 23 9.143 -3.466 -1.255 159 2HB TYR 23 HB1 TYR 23 8.587 -1.808 -1.482 160 HD1 TYR 23 HD2 TYR 23 11.901 -3.035 -2.595 161 HD2 TYR 23 HD1 TYR 23 7.888 -2.066 -3.791 162 HE1 TYR 23 HE2 TYR 23 12.587 -3.131 -4.972 163 HE2 TYR 23 HE1 TYR 23 8.577 -2.165 -6.171 164 HH TYR 23 HH TYR 23 11.896 -3.074 -7.084 165 H VAL 24 HN VAL 24 9.722 0.271 0.180 166 HA VAL 24 HA VAL 24 10.808 1.943 -1.944 167 HB VAL 24 HB VAL 24 9.884 2.800 0.807 168 1HG1 VAL 24 HG13 VAL 24 11.261 4.439 -0.426 169 2HG1 VAL 24 HG12 VAL 24 10.166 4.317 -1.802 170 3HG1 VAL 24 HG11 VAL 24 9.592 4.987 -0.274 171 1HG2 VAL 24 HG22 VAL 24 8.316 1.511 -1.003 172 2HG2 VAL 24 HG21 VAL 24 7.707 2.766 0.075 173 3HG2 VAL 24 HG23 VAL 24 8.157 3.169 -1.582 174 H SER 25 HN SER 25 11.697 1.169 1.404 175 HA SER 25 HA SER 25 13.877 2.933 1.680 176 1HB SER 25 HB2 SER 25 14.683 1.489 3.414 177 2HB SER 25 HB1 SER 25 12.924 1.426 3.466 178 HG SER 25 HG SER 25 14.621 -0.572 3.151 179 H THR 26 HN THR 26 13.817 -0.343 0.252 180 HA THR 26 HA THR 26 16.672 -0.321 -0.322 181 HB THR 26 HB THR 26 14.399 -2.155 -1.075 182 HG1 THR 26 HG1 THR 26 16.728 -2.924 0.233 183 1HG2 THR 26 HG22 THR 26 17.266 -2.177 -2.022 184 2HG2 THR 26 HG21 THR 26 16.305 -3.653 -1.941 185 3HG2 THR 26 HG23 THR 26 15.797 -2.326 -2.985 186 H ARG 27 HN ARG 27 13.800 -0.180 -2.477 187 HA ARG 27 HA ARG 27 15.267 0.167 -4.881 188 1HB ARG 27 HB2 ARG 27 12.491 0.404 -4.033 189 2HB ARG 27 HB1 ARG 27 12.909 1.606 -5.253 190 1HG ARG 27 HG2 ARG 27 13.340 -1.385 -5.471 191 2HG ARG 27 HG1 ARG 27 12.131 -0.439 -6.342 192 1HD ARG 27 HD2 ARG 27 14.477 0.915 -6.898 193 2HD ARG 27 HD1 ARG 27 14.992 -0.771 -6.899 194 HE ARG 27 HE ARG 27 13.451 -1.197 -8.722 195 1HH1 ARG 27 HH11 ARG 27 12.363 1.663 -7.372 196 2HH1 ARG 27 HH12 ARG 27 12.122 2.493 -8.874 197 1HH2 ARG 27 HH21 ARG 27 13.659 0.041 -10.782 198 2HH2 ARG 27 HH22 ARG 27 12.857 1.575 -10.804 199 H THR 28 HN THR 28 14.472 2.473 -2.375 200 HA THR 28 HA THR 28 15.248 4.722 -4.139 201 HB THR 28 HB THR 28 14.327 6.159 -2.451 202 HG1 THR 28 HG1 THR 28 13.527 4.934 -0.488 203 1HG2 THR 28 HG23 THR 28 12.748 3.612 -2.819 204 2HG2 THR 28 HG22 THR 28 12.079 5.039 -2.029 205 3HG2 THR 28 HG21 THR 28 12.591 5.122 -3.715 206 H CYS 29 HN CYS 29 16.122 3.728 -0.798 207 HA CYS 29 HA CYS 29 18.732 5.081 -1.175 208 1HB CYS 29 HB2 CYS 29 17.805 3.825 1.394 209 2HB CYS 29 HB1 CYS 29 18.887 5.198 1.160 210 H GLY 30 HN GLY 30 17.770 2.236 -2.077 211 1HA GLY 30 HA2 GLY 30 18.740 0.082 -2.202 212 2HA GLY 30 HA1 GLY 30 20.271 0.933 -1.989 213 H VAL 31 HN VAL 31 17.893 1.313 0.501 214 HA VAL 31 HA VAL 31 19.548 -0.430 2.282 215 HB VAL 31 HB VAL 31 17.865 2.024 2.831 216 1HG1 VAL 31 HG11 VAL 31 19.109 0.079 4.799 217 2HG1 VAL 31 HG13 VAL 31 18.480 1.669 5.230 218 3HG1 VAL 31 HG12 VAL 31 17.390 0.428 4.613 219 1HG2 VAL 31 HG21 VAL 31 20.273 2.194 2.025 220 2HG2 VAL 31 HG23 VAL 31 19.943 2.973 3.572 221 3HG2 VAL 31 HG22 VAL 31 20.745 1.403 3.529 222 H GLY 32 HN GLY 32 18.251 -1.504 4.084 223 1HA GLY 32 HA2 GLY 32 15.789 -2.029 4.671 224 2HA GLY 32 HA1 GLY 32 15.672 -2.425 2.952 225 HA PRO 33 HA PRO 33 17.261 -6.148 5.438 226 1HB PRO 33 HB2 PRO 33 15.218 -7.910 4.790 227 2HB PRO 33 HB1 PRO 33 15.272 -6.947 6.275 228 1HG PRO 33 HG2 PRO 33 13.681 -6.484 3.777 229 2HG PRO 33 HG1 PRO 33 13.253 -6.144 5.463 230 1HD PRO 33 HD2 PRO 33 14.069 -4.211 3.695 231 2HD PRO 33 HD1 PRO 33 14.284 -4.090 5.457 232 H ARG 34 HN ARG 34 17.674 -8.439 4.270 233 HA ARG 34 HA ARG 34 18.567 -7.726 1.553 234 1HB ARG 34 HB2 ARG 34 19.042 -10.257 3.156 235 2HB ARG 34 HB1 ARG 34 19.873 -9.789 1.672 236 1HG ARG 34 HG2 ARG 34 20.403 -7.587 3.049 237 2HG ARG 34 HG1 ARG 34 20.142 -8.653 4.430 238 1HD ARG 34 HD2 ARG 34 21.928 -10.057 3.848 239 2HD ARG 34 HD1 ARG 34 21.925 -9.521 2.168 240 HE ARG 34 HE ARG 34 22.567 -7.244 3.650 241 1HH1 ARG 34 HH11 ARG 34 24.081 -8.455 5.638 242 2HH1 ARG 34 HH12 ARG 34 25.587 -8.901 4.906 243 1HH2 ARG 34 HH21 ARG 34 24.384 -8.670 1.661 244 2HH2 ARG 34 HH22 ARG 34 25.758 -9.022 2.655 245 H LEU 35 HN LEU 35 16.365 -7.711 0.681 246 HA LEU 35 HA LEU 35 15.470 -10.467 -0.057 247 1HB LEU 35 HB2 LEU 35 13.813 -8.044 0.688 248 2HB LEU 35 HB1 LEU 35 13.143 -9.390 -0.233 249 HG LEU 35 HG LEU 35 14.561 -9.784 2.410 250 1HD1 LEU 35 HD11 LEU 35 12.223 -8.355 2.125 251 2HD1 LEU 35 HD13 LEU 35 11.624 -9.996 2.367 252 3HD1 LEU 35 HD12 LEU 35 12.681 -9.256 3.570 253 1HD2 LEU 35 HD21 LEU 35 12.902 -11.448 0.533 254 2HD2 LEU 35 HD23 LEU 35 14.410 -11.862 1.349 255 3HD2 LEU 35 HD22 LEU 35 12.898 -11.827 2.256 256 H ALA 36 HN ALA 36 15.935 -10.675 -2.211 257 HA ALA 36 HA ALA 36 16.770 -8.767 -3.997 258 1HB ALA 36 HB1 ALA 36 15.066 -11.214 -4.464 259 2HB ALA 36 HB3 ALA 36 15.594 -10.197 -5.806 260 3HB ALA 36 HB2 ALA 36 16.788 -10.996 -4.783 261 H THR 37 HN THR 37 15.612 -7.589 -5.774 262 HA THR 37 HA THR 37 13.411 -6.068 -4.724 263 HB THR 37 HB THR 37 13.333 -5.407 -7.316 264 HG1 THR 37 HG1 THR 37 14.953 -6.167 -8.408 265 1HG2 THR 37 HG22 THR 37 14.347 -4.294 -5.070 266 2HG2 THR 37 HG21 THR 37 15.837 -4.542 -5.979 267 3HG2 THR 37 HG23 THR 37 14.535 -3.571 -6.668 268 H GLN 38 HN GLN 38 13.484 -8.226 -7.595 269 HA GLN 38 HA GLN 38 10.752 -8.243 -8.140 270 1HB GLN 38 HB2 GLN 38 12.983 -10.142 -8.576 271 2HB GLN 38 HB1 GLN 38 11.367 -10.844 -8.662 272 1HG GLN 38 HG2 GLN 38 11.203 -8.402 -10.057 273 2HG GLN 38 HG1 GLN 38 12.714 -9.147 -10.581 274 1HE2 GLN 38 HE22 GLN 38 9.655 -10.468 -12.494 275 2HE2 GLN 38 HE21 GLN 38 10.063 -8.881 -12.052 276 H GLU 39 HN GLU 39 12.435 -9.924 -5.554 277 HA GLU 39 HA GLU 39 10.239 -11.637 -4.804 278 1HB GLU 39 HB2 GLU 39 12.583 -10.570 -3.198 279 2HB GLU 39 HB1 GLU 39 11.470 -11.815 -2.628 280 1HG GLU 39 HG2 GLU 39 13.034 -12.061 -5.210 281 2HG GLU 39 HG1 GLU 39 13.618 -12.688 -3.666 282 H MET 40 HN MET 40 11.392 -8.480 -3.622 283 HA MET 40 HA MET 40 9.396 -8.078 -1.634 284 1HB MET 40 HB2 MET 40 11.545 -6.695 -2.261 285 2HB MET 40 HB1 MET 40 10.445 -5.820 -3.320 286 1HG MET 40 HG2 MET 40 10.531 -4.684 -1.172 287 2HG MET 40 HG1 MET 40 8.941 -5.420 -1.370 288 1HE MET 40 HE2 MET 40 11.996 -4.932 0.141 289 2HE MET 40 HE1 MET 40 11.712 -5.424 1.808 290 3HE MET 40 HE3 MET 40 12.603 -6.485 0.708 291 H LYS 41 HN LYS 41 9.544 -6.686 -4.918 292 HA LYS 41 HA LYS 41 6.982 -5.602 -5.066 293 1HB LYS 41 HB2 LYS 41 8.601 -5.335 -6.879 294 2HB LYS 41 HB1 LYS 41 8.503 -7.058 -7.247 295 1HG LYS 41 HG2 LYS 41 6.978 -6.287 -8.790 296 2HG LYS 41 HG1 LYS 41 5.893 -6.475 -7.412 297 1HD LYS 41 HD2 LYS 41 5.406 -4.295 -8.067 298 2HD LYS 41 HD1 LYS 41 6.657 -4.014 -6.854 299 1HE LYS 41 HE2 LYS 41 8.303 -4.222 -8.879 300 2HE LYS 41 HE1 LYS 41 6.870 -3.886 -9.851 301 1HZ LYS 41 HZ2 LYS 41 6.645 -2.021 -7.969 302 2HZ LYS 41 HZ1 LYS 41 8.338 -2.147 -8.051 303 3HZ LYS 41 HZ3 LYS 41 7.448 -1.767 -9.445 304 H ALA 42 HN ALA 42 7.957 -8.978 -5.407 305 HA ALA 42 HA ALA 42 5.430 -9.978 -6.321 306 1HB ALA 42 HB2 ALA 42 7.895 -11.132 -5.112 307 2HB ALA 42 HB1 ALA 42 6.428 -12.104 -5.000 308 3HB ALA 42 HB3 ALA 42 7.036 -11.604 -6.578 309 H ARG 43 HN ARG 43 6.811 -9.580 -3.062 310 HA ARG 43 HA ARG 43 4.628 -10.753 -1.644 311 1HB ARG 43 HB2 ARG 43 6.949 -9.051 -0.991 312 2HB ARG 43 HB1 ARG 43 5.579 -8.884 0.107 313 1HG ARG 43 HG2 ARG 43 7.115 -10.673 0.858 314 2HG ARG 43 HG1 ARG 43 5.529 -11.324 0.435 315 1HD ARG 43 HD2 ARG 43 6.361 -12.003 -1.765 316 2HD ARG 43 HD1 ARG 43 7.935 -11.291 -1.412 317 HE ARG 43 HE ARG 43 8.441 -13.190 -0.104 318 1HH1 ARG 43 HH21 ARG 43 6.834 -13.749 1.951 319 2HH1 ARG 43 HH22 ARG 43 5.673 -14.933 1.449 320 1HH2 ARG 43 HH11 ARG 43 6.183 -14.377 -1.937 321 2HH2 ARG 43 HH12 ARG 43 5.306 -15.289 -0.754 322 H CYS 44 HN CYS 44 5.260 -7.364 -2.602 323 HA CYS 44 HA CYS 44 2.932 -6.290 -1.329 324 1HB CYS 44 HB2 CYS 44 4.664 -5.344 -3.595 325 2HB CYS 44 HB1 CYS 44 3.181 -4.486 -3.168 326 H CYS 45 HN CYS 45 3.434 -7.727 -4.560 327 HA CYS 45 HA CYS 45 0.808 -6.993 -5.527 328 1HB CYS 45 HB2 CYS 45 2.792 -9.099 -6.419 329 2HB CYS 45 HB1 CYS 45 1.240 -8.867 -7.213 330 H ARG 46 HN ARG 46 2.068 -9.665 -3.627 331 HA ARG 46 HA ARG 46 -0.306 -11.316 -3.934 332 1HB ARG 46 HB2 ARG 46 2.094 -11.965 -3.098 333 2HB ARG 46 HB1 ARG 46 1.498 -11.449 -1.529 334 1HG ARG 46 HG2 ARG 46 1.031 -13.787 -1.655 335 2HG ARG 46 HG1 ARG 46 -0.507 -12.966 -1.919 336 1HD ARG 46 HD2 ARG 46 -0.638 -14.304 -3.757 337 2HD ARG 46 HD1 ARG 46 0.444 -13.108 -4.473 338 HE ARG 46 HE ARG 46 1.145 -15.829 -3.860 339 1HH1 ARG 46 HH11 ARG 46 2.286 -12.907 -5.016 340 2HH1 ARG 46 HH12 ARG 46 3.949 -13.192 -4.622 341 1HH2 ARG 46 HH21 ARG 46 3.304 -16.075 -2.811 342 2HH2 ARG 46 HH22 ARG 46 4.524 -14.984 -3.376 343 H GLN 47 HN GLN 47 0.769 -8.766 -1.773 344 HA GLN 47 HA GLN 47 -1.440 -9.132 0.106 345 1HB GLN 47 HB2 GLN 47 0.369 -6.729 -0.291 346 2HB GLN 47 HB1 GLN 47 -0.638 -7.058 1.119 347 1HG GLN 47 HG2 GLN 47 0.904 -9.390 0.695 348 2HG GLN 47 HG1 GLN 47 2.016 -8.030 0.533 349 1HE2 GLN 47 HE22 GLN 47 2.223 -7.832 4.040 350 2HE2 GLN 47 HE21 GLN 47 3.039 -7.885 2.553 351 H LEU 48 HN LEU 48 -0.848 -7.232 -2.794 352 HA LEU 48 HA LEU 48 -3.156 -5.509 -2.461 353 1HB LEU 48 HB2 LEU 48 -1.141 -4.978 -3.903 354 2HB LEU 48 HB1 LEU 48 -1.721 -6.190 -5.045 355 HG LEU 48 HG LEU 48 -3.704 -4.171 -4.140 356 1HD1 LEU 48 HD13 LEU 48 -1.152 -3.351 -5.082 357 2HD1 LEU 48 HD12 LEU 48 -2.288 -3.120 -6.411 358 3HD1 LEU 48 HD11 LEU 48 -2.587 -2.353 -4.852 359 1HD2 LEU 48 HD23 LEU 48 -4.129 -6.028 -5.799 360 2HD2 LEU 48 HD22 LEU 48 -4.475 -4.415 -6.423 361 3HD2 LEU 48 HD21 LEU 48 -2.987 -5.239 -6.887 362 H GLU 49 HN GLU 49 -2.499 -8.572 -4.138 363 HA GLU 49 HA GLU 49 -5.110 -8.687 -5.390 364 1HB GLU 49 HB2 GLU 49 -2.791 -10.107 -5.718 365 2HB GLU 49 HB1 GLU 49 -3.748 -11.250 -4.773 366 1HG GLU 49 HG2 GLU 49 -5.424 -10.058 -6.783 367 2HG GLU 49 HG1 GLU 49 -3.967 -10.693 -7.547 368 H ALA 50 HN ALA 50 -3.677 -10.368 -2.557 369 HA ALA 50 HA ALA 50 -5.957 -11.692 -1.609 370 1HB ALA 50 HB1 ALA 50 -3.439 -10.974 -0.537 371 2HB ALA 50 HB3 ALA 50 -4.634 -10.345 0.597 372 3HB ALA 50 HB2 ALA 50 -4.624 -12.060 0.187 373 H ILE 51 HN ILE 51 -4.960 -8.332 -1.128 374 HA ILE 51 HA ILE 51 -7.353 -7.492 0.259 375 HB ILE 51 HB ILE 51 -5.246 -5.972 -1.308 376 1HG1 ILE 51 HG12 ILE 51 -5.831 -5.960 1.664 377 2HG1 ILE 51 HG11 ILE 51 -4.694 -7.091 0.928 378 1HG2 ILE 51 HG23 ILE 51 -7.880 -5.141 -0.542 379 2HG2 ILE 51 HG22 ILE 51 -6.710 -4.281 0.460 380 3HG2 ILE 51 HG21 ILE 51 -6.607 -4.181 -1.298 381 1HD1 ILE 51 HD13 ILE 51 -4.475 -4.122 0.440 382 2HD1 ILE 51 HD12 ILE 51 -3.738 -4.871 1.857 383 3HD1 ILE 51 HD11 ILE 51 -3.238 -5.362 0.239 384 HA PRO 52 HA PRO 52 -9.616 -8.134 -3.554 385 1HB PRO 52 HB2 PRO 52 -12.078 -7.450 -2.490 386 2HB PRO 52 HB1 PRO 52 -11.346 -9.061 -2.389 387 1HG PRO 52 HG2 PRO 52 -11.477 -6.915 -0.293 388 2HG PRO 52 HG1 PRO 52 -11.537 -8.678 -0.100 389 1HD PRO 52 HD2 PRO 52 -9.271 -7.183 0.408 390 2HD PRO 52 HD1 PRO 52 -9.226 -8.888 -0.090 391 H ALA 53 HN ALA 53 -10.134 -6.767 -5.168 392 HA ALA 53 HA ALA 53 -9.308 -4.238 -5.478 393 1HB ALA 53 HB1 ALA 53 -11.131 -5.870 -6.825 394 2HB ALA 53 HB3 ALA 53 -11.987 -4.349 -6.575 395 3HB ALA 53 HB2 ALA 53 -10.435 -4.360 -7.413 396 H TYR 54 HN TYR 54 -12.228 -5.095 -3.696 397 HA TYR 54 HA TYR 54 -13.213 -2.412 -3.392 398 1HB TYR 54 HB2 TYR 54 -13.758 -5.067 -2.214 399 2HB TYR 54 HB1 TYR 54 -14.105 -3.703 -1.151 400 HD1 TYR 54 HD1 TYR 54 -15.311 -1.649 -2.395 401 HD2 TYR 54 HD2 TYR 54 -15.449 -5.754 -3.658 402 HE1 TYR 54 HE1 TYR 54 -17.396 -1.192 -3.659 403 HE2 TYR 54 HE2 TYR 54 -17.535 -5.295 -4.921 404 HH TYR 54 HH TYR 54 -18.926 -2.015 -5.035 405 H CYS 55 HN CYS 55 -12.305 -0.801 -2.234 406 HA CYS 55 HA CYS 55 -11.205 0.309 -0.478 407 1HB CYS 55 HB2 CYS 55 -10.919 -2.417 0.816 408 2HB CYS 55 HB1 CYS 55 -10.798 -0.843 1.596 409 H ARG 56 HN ARG 56 -9.773 -1.491 -2.758 410 HA ARG 56 HA ARG 56 -7.291 -2.406 -1.968 411 1HB ARG 56 HB2 ARG 56 -8.053 -0.704 -4.343 412 2HB ARG 56 HB1 ARG 56 -6.393 -1.249 -4.109 413 1HG ARG 56 HG2 ARG 56 -8.497 -3.322 -3.811 414 2HG ARG 56 HG1 ARG 56 -8.244 -2.702 -5.442 415 1HD ARG 56 HD2 ARG 56 -5.745 -3.107 -5.050 416 2HD ARG 56 HD1 ARG 56 -6.222 -4.028 -3.626 417 HE ARG 56 HE ARG 56 -6.871 -5.777 -5.072 418 1HH1 ARG 56 HH21 ARG 56 -6.178 -2.915 -6.836 419 2HH1 ARG 56 HH22 ARG 56 -6.787 -3.530 -8.336 420 1HH2 ARG 56 HH11 ARG 56 -7.918 -6.507 -6.966 421 2HH2 ARG 56 HH12 ARG 56 -7.771 -5.562 -8.410 422 H CYS 57 HN CYS 57 -7.132 0.847 -3.360 423 HA CYS 57 HA CYS 57 -4.962 1.943 -2.273 424 1HB CYS 57 HB2 CYS 57 -7.693 3.147 -2.471 425 2HB CYS 57 HB1 CYS 57 -6.410 4.075 -1.702 426 H GLU 58 HN GLU 58 -7.920 1.715 -0.217 427 HA GLU 58 HA GLU 58 -7.404 2.845 2.113 428 1HB GLU 58 HB2 GLU 58 -9.023 0.837 1.501 429 2HB GLU 58 HB1 GLU 58 -7.817 -0.101 2.383 430 1HG GLU 58 HG2 GLU 58 -8.082 1.278 4.349 431 2HG GLU 58 HG1 GLU 58 -9.122 2.404 3.477 432 H ALA 59 HN ALA 59 -5.674 -0.193 1.288 433 HA ALA 59 HA ALA 59 -4.116 -0.585 3.515 434 1HB ALA 59 HB3 ALA 59 -3.964 -1.356 0.825 435 2HB ALA 59 HB2 ALA 59 -2.390 -0.646 1.186 436 3HB ALA 59 HB1 ALA 59 -2.995 -1.989 2.156 437 H VAL 60 HN VAL 60 -3.041 1.505 0.853 438 HA VAL 60 HA VAL 60 -0.812 2.648 2.112 439 HB VAL 60 HB VAL 60 -2.735 4.080 0.253 440 1HG1 VAL 60 HG11 VAL 60 0.105 4.529 1.142 441 2HG1 VAL 60 HG13 VAL 60 -0.425 5.087 -0.444 442 3HG1 VAL 60 HG12 VAL 60 -1.213 5.694 1.013 443 1HG2 VAL 60 HG23 VAL 60 -1.525 1.691 -0.270 444 2HG2 VAL 60 HG22 VAL 60 -1.882 2.899 -1.505 445 3HG2 VAL 60 HG21 VAL 60 -0.271 2.816 -0.794 446 H ARG 61 HN ARG 61 -4.225 3.604 2.314 447 HA ARG 61 HA ARG 61 -3.856 5.992 3.826 448 1HB ARG 61 HB2 ARG 61 -6.032 4.548 2.828 449 2HB ARG 61 HB1 ARG 61 -6.261 4.528 4.576 450 1HG ARG 61 HG2 ARG 61 -5.438 7.145 3.993 451 2HG ARG 61 HG1 ARG 61 -6.582 6.734 2.715 452 1HD ARG 61 HD2 ARG 61 -7.943 5.744 4.806 453 2HD ARG 61 HD1 ARG 61 -7.033 6.998 5.649 454 HE ARG 61 HE ARG 61 -8.074 8.655 4.139 455 1HH1 ARG 61 HH21 ARG 61 -8.982 7.347 1.800 456 2HH1 ARG 61 HH22 ARG 61 -10.637 6.944 2.113 457 1HH2 ARG 61 HH11 ARG 61 -10.358 7.317 5.548 458 2HH2 ARG 61 HH12 ARG 61 -11.415 6.928 4.232 459 H ILE 62 HN ILE 62 -3.999 2.604 4.819 460 HA ILE 62 HA ILE 62 -4.156 3.237 7.658 461 HB ILE 62 HB ILE 62 -3.598 0.705 6.097 462 1HG1 ILE 62 HG12 ILE 62 -5.812 1.340 8.059 463 2HG1 ILE 62 HG11 ILE 62 -5.938 1.716 6.340 464 1HG2 ILE 62 HG23 ILE 62 -3.354 1.243 9.050 465 2HG2 ILE 62 HG22 ILE 62 -3.873 -0.343 8.480 466 3HG2 ILE 62 HG21 ILE 62 -2.298 0.292 8.007 467 1HD1 ILE 62 HD12 ILE 62 -4.988 -1.000 6.755 468 2HD1 ILE 62 HD11 ILE 62 -6.538 -0.737 7.553 469 3HD1 ILE 62 HD13 ILE 62 -6.375 -0.434 5.823 470 H LEU 63 HN LEU 63 -1.557 2.726 5.344 471 HA LEU 63 HA LEU 63 0.430 2.375 7.441 472 1HB LEU 63 HB2 LEU 63 0.792 1.472 5.163 473 2HB LEU 63 HB1 LEU 63 0.823 3.118 4.529 474 HG LEU 63 HG LEU 63 2.623 2.824 6.794 475 1HD1 LEU 63 HD13 LEU 63 2.952 0.977 4.418 476 2HD1 LEU 63 HD12 LEU 63 4.291 1.430 5.472 477 3HD1 LEU 63 HD11 LEU 63 2.918 0.538 6.127 478 1HD2 LEU 63 HD21 LEU 63 2.483 4.588 4.901 479 2HD2 LEU 63 HD23 LEU 63 4.087 4.034 5.379 480 3HD2 LEU 63 HD22 LEU 63 3.334 3.400 3.916 481 H MET 64 HN MET 64 -0.495 5.082 5.308 482 HA MET 64 HA MET 64 1.367 6.889 6.621 483 1HB MET 64 HB2 MET 64 0.706 7.244 4.284 484 2HB MET 64 HB1 MET 64 -0.980 7.434 4.764 485 1HG MET 64 HG2 MET 64 -0.028 9.645 4.488 486 2HG MET 64 HG1 MET 64 -0.285 9.367 6.211 487 1HE MET 64 HE1 MET 64 1.037 9.720 7.796 488 2HE MET 64 HE3 MET 64 2.775 10.046 7.828 489 3HE MET 64 HE2 MET 64 1.670 11.215 7.111 490 H ASP 65 HN ASP 65 -2.220 6.558 6.637 491 HA ASP 65 HA ASP 65 -2.375 8.507 8.820 492 1HB ASP 65 HB2 ASP 65 -4.498 6.932 7.326 493 2HB ASP 65 HB1 ASP 65 -4.869 7.744 8.845 494 H GLY 66 HN GLY 66 -2.016 5.072 8.579 495 1HA GLY 66 HA2 GLY 66 -1.504 3.629 10.393 496 2HA GLY 66 HA1 GLY 66 -1.963 4.913 11.511 497 H VAL 67 HN VAL 67 -2.807 2.095 11.530 498 HA VAL 67 HA VAL 67 -5.751 2.463 11.151 499 HB VAL 67 HB VAL 67 -5.094 0.703 9.698 500 1HG1 VAL 67 HG11 VAL 67 -2.805 0.438 10.649 501 2HG1 VAL 67 HG13 VAL 67 -3.496 -0.453 12.006 502 3HG1 VAL 67 HG12 VAL 67 -3.597 -1.114 10.374 503 1HG2 VAL 67 HG22 VAL 67 -6.996 0.204 11.326 504 2HG2 VAL 67 HG21 VAL 67 -6.231 -1.206 10.591 505 3HG2 VAL 67 HG23 VAL 67 -5.834 -0.752 12.248 506 H VAL 68 HN VAL 68 -7.105 1.422 12.796 507 HA VAL 68 HA VAL 68 -5.694 1.233 15.421 508 HB VAL 68 HB VAL 68 -8.377 2.384 14.671 509 1HG1 VAL 68 HG12 VAL 68 -8.737 0.801 16.558 510 2HG1 VAL 68 HG11 VAL 68 -7.459 1.613 17.462 511 3HG1 VAL 68 HG13 VAL 68 -8.943 2.478 17.062 512 1HG2 VAL 68 HG21 VAL 68 -5.823 3.414 15.301 513 2HG2 VAL 68 HG23 VAL 68 -7.323 4.327 15.126 514 3HG2 VAL 68 HG22 VAL 68 -6.832 3.732 16.712 515 H THR 69 HN THR 69 -6.636 -0.229 16.975 516 HA THR 69 HA THR 69 -8.000 -2.558 15.702 517 HB THR 69 HB THR 69 -6.844 -3.908 17.498 518 HG1 THR 69 HG1 THR 69 -6.226 -1.456 18.328 519 1HG2 THR 69 HG23 THR 69 -6.001 -3.485 15.090 520 2HG2 THR 69 HG22 THR 69 -4.830 -2.399 15.839 521 3HG2 THR 69 HG21 THR 69 -4.844 -4.111 16.263 522 H SER 70 HN SER 70 -9.427 -3.764 17.151 523 HA SER 70 HA SER 70 -11.214 -2.073 18.595 524 1HB SER 70 HB2 SER 70 -11.788 -4.287 17.511 525 2HB SER 70 HB1 SER 70 -10.981 -5.074 18.863 526 HG SER 70 HG SER 70 -13.030 -4.921 19.534 527 H SER 71 HN SER 71 -8.538 -4.070 19.578 528 HA SER 71 HA SER 71 -9.038 -4.031 22.399 529 1HB SER 71 HB2 SER 71 -6.454 -4.352 22.466 530 2HB SER 71 HB1 SER 71 -7.434 -5.609 21.718 531 HG SER 71 HG SER 71 -5.815 -5.128 20.295 532 H GLY 72 HN GLY 72 -8.096 -1.578 20.226 533 1HA GLY 72 HA2 GLY 72 -8.048 0.757 20.937 534 2HA GLY 72 HA1 GLY 72 -7.517 0.211 22.532 535 H GLN 73 HN GLN 73 -5.890 -1.547 20.141 536 HA GLN 73 HA GLN 73 -3.437 0.019 20.690 537 1HB GLN 73 HB2 GLN 73 -3.977 -2.680 19.448 538 2HB GLN 73 HB1 GLN 73 -2.381 -1.932 19.385 539 1HG GLN 73 HG2 GLN 73 -2.585 -1.650 21.928 540 2HG GLN 73 HG1 GLN 73 -3.953 -2.761 21.829 541 1HE2 GLN 73 HE22 GLN 73 -0.590 -4.569 22.282 542 2HE2 GLN 73 HE21 GLN 73 -1.192 -3.178 23.047 543 H HIS 74 HN HIS 74 -2.028 0.706 18.913 544 HA HIS 74 HA HIS 74 -3.553 1.221 16.398 545 1HB HIS 74 HB2 HIS 74 -1.520 2.856 17.903 546 2HB HIS 74 HB1 HIS 74 -1.848 3.144 16.207 547 HD1 HIS 74 HD1 HIS 74 -3.034 5.401 16.532 548 HD2 HIS 74 HD2 HIS 74 -4.779 2.305 18.710 549 HE1 HIS 74 HE1 HIS 74 -5.230 6.296 17.416 550 H GLU 75 HN GLU 75 -2.242 1.164 14.431 551 HA GLU 75 HA GLU 75 0.406 -0.146 14.713 552 1HB GLU 75 HB2 GLU 75 -1.622 -1.248 12.777 553 2HB GLU 75 HB1 GLU 75 -0.135 -1.999 13.359 554 1HG GLU 75 HG2 GLU 75 -1.363 -1.701 15.720 555 2HG GLU 75 HG1 GLU 75 -2.796 -1.782 14.693 556 H GLY 76 HN GLY 76 1.234 -0.521 12.273 557 1HA GLY 76 HA2 GLY 76 2.099 0.628 10.418 558 2HA GLY 76 HA1 GLY 76 0.433 1.150 10.164 559 H ARG 77 HN ARG 77 0.856 3.282 9.615 560 HA ARG 77 HA ARG 77 1.351 5.547 9.974 561 1HB ARG 77 HB2 ARG 77 0.020 4.659 12.177 562 2HB ARG 77 HB1 ARG 77 1.514 5.243 12.909 563 1HG ARG 77 HG2 ARG 77 1.178 7.439 12.153 564 2HG ARG 77 HG1 ARG 77 0.053 6.932 10.892 565 1HD ARG 77 HD2 ARG 77 -1.616 7.447 12.320 566 2HD ARG 77 HD1 ARG 77 -1.128 6.036 13.259 567 HE ARG 77 HE ARG 77 -0.518 7.595 14.903 568 1HH1 ARG 77 HH11 ARG 77 -0.504 9.117 11.841 569 2HH1 ARG 77 HH12 ARG 77 0.470 10.455 12.350 570 1HH2 ARG 77 HH21 ARG 77 1.005 9.198 15.535 571 2HH2 ARG 77 HH22 ARG 77 1.324 10.501 14.440 572 H LEU 78 HN LEU 78 3.571 3.309 10.205 573 HA LEU 78 HA LEU 78 5.578 4.695 11.836 574 1HB LEU 78 HB2 LEU 78 5.293 2.068 10.606 575 2HB LEU 78 HB1 LEU 78 6.894 2.752 10.323 576 HG LEU 78 HG LEU 78 7.030 3.266 12.783 577 1HD1 LEU 78 HD11 LEU 78 4.347 2.883 12.797 578 2HD1 LEU 78 HD13 LEU 78 4.884 1.289 13.328 579 3HD1 LEU 78 HD12 LEU 78 5.349 2.726 14.239 580 1HD2 LEU 78 HD22 LEU 78 7.610 0.959 11.445 581 2HD2 LEU 78 HD21 LEU 78 7.996 1.227 13.144 582 3HD2 LEU 78 HD23 LEU 78 6.533 0.348 12.701 583 H LEU 79 HN LEU 79 4.441 4.978 8.633 584 HA LEU 79 HA LEU 79 6.628 5.436 7.014 585 1HB LEU 79 HB2 LEU 79 4.066 5.881 6.623 586 2HB LEU 79 HB1 LEU 79 4.461 7.522 7.134 587 HG LEU 79 HG LEU 79 4.590 7.184 4.648 588 1HD1 LEU 79 HD11 LEU 79 6.023 8.816 6.093 589 2HD1 LEU 79 HD13 LEU 79 7.354 7.723 5.714 590 3HD1 LEU 79 HD12 LEU 79 6.488 8.545 4.414 591 1HD2 LEU 79 HD22 LEU 79 5.853 4.821 5.354 592 2HD2 LEU 79 HD21 LEU 79 5.825 5.517 3.735 593 3HD2 LEU 79 HD23 LEU 79 7.189 5.832 4.808 594 H GLN 80 HN GLN 80 8.479 6.218 8.089 595 HA GLN 80 HA GLN 80 8.368 9.105 8.775 596 1HB GLN 80 HB2 GLN 80 9.465 6.944 10.597 597 2HB GLN 80 HB1 GLN 80 9.695 8.675 10.847 598 1HG GLN 80 HG2 GLN 80 7.294 9.019 11.039 599 2HG GLN 80 HG1 GLN 80 6.986 7.329 10.635 600 1HE2 GLN 80 HE22 GLN 80 6.819 7.154 14.245 601 2HE2 GLN 80 HE21 GLN 80 5.855 7.473 12.885 602 H ASP 81 HN ASP 81 10.746 9.763 9.391 603 HA ASP 81 HA ASP 81 12.313 9.428 7.026 604 1HB ASP 81 HB2 ASP 81 13.032 10.564 9.747 605 2HB ASP 81 HB1 ASP 81 14.054 10.688 8.313 606 H LEU 82 HN LEU 82 13.325 7.607 6.521 607 HA LEU 82 HA LEU 82 14.510 5.840 8.577 608 1HB LEU 82 HB2 LEU 82 13.902 5.630 5.628 609 2HB LEU 82 HB1 LEU 82 15.031 4.505 6.364 610 HG LEU 82 HG LEU 82 12.270 5.006 7.487 611 1HD1 LEU 82 HD11 LEU 82 13.200 2.954 5.462 612 2HD1 LEU 82 HD13 LEU 82 11.713 2.787 6.395 613 3HD1 LEU 82 HD12 LEU 82 11.902 4.135 5.274 614 1HD2 LEU 82 HD21 LEU 82 14.587 3.520 8.316 615 2HD2 LEU 82 HD23 LEU 82 13.036 3.682 9.140 616 3HD2 LEU 82 HD22 LEU 82 13.279 2.391 7.962 617 HA PRO 83 HA PRO 83 18.590 7.288 7.872 618 1HB PRO 83 HB2 PRO 83 20.091 5.035 7.319 619 2HB PRO 83 HB1 PRO 83 19.547 5.501 8.939 620 1HG PRO 83 HG2 PRO 83 18.451 3.392 7.118 621 2HG PRO 83 HG1 PRO 83 18.504 3.429 8.890 622 1HD PRO 83 HD2 PRO 83 16.234 3.970 7.391 623 2HD PRO 83 HD1 PRO 83 16.486 4.543 9.050 624 H GLY 84 HN GLY 84 18.481 8.542 6.034 625 1HA GLY 84 HA2 GLY 84 19.399 9.089 3.898 626 2HA GLY 84 HA1 GLY 84 19.580 7.367 3.555 627 H CYS 85 HN CYS 85 16.494 8.142 4.849 628 HA CYS 85 HA CYS 85 15.319 8.524 2.140 629 1HB CYS 85 HB2 CYS 85 14.103 6.513 4.008 630 2HB CYS 85 HB1 CYS 85 13.921 6.653 2.261 631 HA PRO 86 HA PRO 86 13.310 11.133 5.332 632 1HB PRO 86 HB2 PRO 86 12.769 13.231 3.628 633 2HB PRO 86 HB1 PRO 86 14.267 13.057 4.537 634 1HG PRO 86 HG2 PRO 86 13.766 12.587 1.639 635 2HG PRO 86 HG1 PRO 86 15.271 13.050 2.452 636 1HD PRO 86 HD2 PRO 86 14.642 10.474 1.526 637 2HD PRO 86 HD1 PRO 86 15.935 10.861 2.682 638 H ARG 87 HN ARG 87 11.042 11.870 5.506 639 HA ARG 87 HA ARG 87 9.077 10.187 4.537 640 1HB ARG 87 HB2 ARG 87 8.817 13.180 4.967 641 2HB ARG 87 HB1 ARG 87 7.491 12.026 4.948 642 1HG ARG 87 HG2 ARG 87 9.354 10.985 6.772 643 2HG ARG 87 HG1 ARG 87 9.280 12.713 7.112 644 1HD ARG 87 HD2 ARG 87 6.883 10.864 6.913 645 2HD ARG 87 HD1 ARG 87 7.581 11.474 8.415 646 HE ARG 87 HE ARG 87 6.276 13.212 6.360 647 1HH1 ARG 87 HH21 ARG 87 8.259 13.924 8.782 648 2HH1 ARG 87 HH22 ARG 87 7.105 14.667 9.838 649 1HH2 ARG 87 HH11 ARG 87 4.353 13.538 8.050 650 2HH2 ARG 87 HH12 ARG 87 4.891 14.448 9.423 651 H GLN 88 HN GLN 88 10.680 12.833 2.947 652 HA GLN 88 HA GLN 88 8.881 13.423 0.855 653 1HB GLN 88 HB2 GLN 88 11.579 14.036 1.501 654 2HB GLN 88 HB1 GLN 88 11.548 13.513 -0.183 655 1HG GLN 88 HG2 GLN 88 10.465 15.380 -0.846 656 2HG GLN 88 HG1 GLN 88 9.304 15.266 0.478 657 1HE2 GLN 88 HE22 GLN 88 11.791 16.970 2.710 658 2HE2 GLN 88 HE21 GLN 88 11.045 15.445 2.710 659 H VAL 89 HN VAL 89 11.470 10.920 0.815 660 HA VAL 89 HA VAL 89 10.921 10.127 -1.884 661 HB VAL 89 HB VAL 89 12.222 8.587 0.366 662 1HG1 VAL 89 HG11 VAL 89 11.856 8.152 -2.541 663 2HG1 VAL 89 HG13 VAL 89 13.495 7.902 -1.941 664 3HG1 VAL 89 HG12 VAL 89 12.157 6.978 -1.259 665 1HG2 VAL 89 HG23 VAL 89 13.136 10.858 -0.015 666 2HG2 VAL 89 HG22 VAL 89 14.284 9.580 -0.414 667 3HG2 VAL 89 HG21 VAL 89 13.421 10.427 -1.700 668 H GLN 90 HN GLN 90 9.855 8.851 1.265 669 HA GLN 90 HA GLN 90 8.471 6.591 0.164 670 1HB GLN 90 HB2 GLN 90 8.845 7.748 2.750 671 2HB GLN 90 HB1 GLN 90 7.112 7.518 2.507 672 1HG GLN 90 HG2 GLN 90 7.291 5.266 2.612 673 2HG GLN 90 HG1 GLN 90 8.695 5.252 1.545 674 1HE2 GLN 90 HE22 GLN 90 10.853 6.030 4.514 675 2HE2 GLN 90 HE21 GLN 90 10.484 6.858 3.080 676 H ARG 91 HN ARG 91 7.640 9.971 0.555 677 HA ARG 91 HA ARG 91 4.809 9.540 -0.047 678 1HB ARG 91 HB2 ARG 91 6.261 11.633 1.044 679 2HB ARG 91 HB1 ARG 91 5.837 12.236 -0.559 680 1HG ARG 91 HG2 ARG 91 3.885 12.815 0.496 681 2HG ARG 91 HG1 ARG 91 3.467 11.137 0.146 682 1HD ARG 91 HD2 ARG 91 4.784 10.769 2.468 683 2HD ARG 91 HD1 ARG 91 4.194 12.408 2.740 684 HE ARG 91 HE ARG 91 2.405 10.082 2.143 685 1HH1 ARG 91 HH21 ARG 91 0.317 11.475 1.971 686 2HH1 ARG 91 HH22 ARG 91 -0.001 12.371 3.418 687 1HH2 ARG 91 HH11 ARG 91 3.199 11.973 4.689 688 2HH2 ARG 91 HH12 ARG 91 1.629 12.653 4.955 689 H ALA 92 HN ALA 92 7.735 10.154 -1.882 690 HA ALA 92 HA ALA 92 6.384 10.958 -4.317 691 1HB ALA 92 HB3 ALA 92 9.170 9.894 -3.788 692 2HB ALA 92 HB2 ALA 92 8.617 10.428 -5.375 693 3HB ALA 92 HB1 ALA 92 8.699 11.575 -4.038 694 H PHE 93 HN PHE 93 7.926 7.883 -3.289 695 HA PHE 93 HA PHE 93 6.892 6.468 -5.625 696 1HB PHE 93 HB2 PHE 93 8.973 5.726 -4.605 697 2HB PHE 93 HB1 PHE 93 8.163 5.487 -3.059 698 HD1 PHE 93 HD1 PHE 93 6.508 3.659 -2.764 699 HD2 PHE 93 HD2 PHE 93 8.738 4.133 -6.405 700 HE1 PHE 93 HE1 PHE 93 5.892 1.355 -3.444 701 HE2 PHE 93 HE2 PHE 93 8.123 1.829 -7.083 702 HZ PHE 93 HZ PHE 93 6.700 0.440 -5.602 703 H ALA 94 HN ALA 94 5.801 7.064 -2.364 704 HA ALA 94 HA ALA 94 4.089 5.017 -1.762 705 1HB ALA 94 HB3 ALA 94 4.019 7.941 -1.312 706 2HB ALA 94 HB2 ALA 94 2.485 7.098 -1.089 707 3HB ALA 94 HB1 ALA 94 3.901 6.616 -0.154 708 HA PRO 95 HA PRO 95 0.603 6.726 -4.564 709 1HB PRO 95 HB2 PRO 95 1.320 8.605 -6.446 710 2HB PRO 95 HB1 PRO 95 0.698 8.998 -4.834 711 1HG PRO 95 HG2 PRO 95 3.504 9.135 -5.855 712 2HG PRO 95 HG1 PRO 95 2.719 10.101 -4.593 713 1HD PRO 95 HD2 PRO 95 4.468 7.965 -4.127 714 2HD PRO 95 HD1 PRO 95 3.344 8.636 -2.932 715 H LYS 96 HN LYS 96 1.256 4.520 -5.243 716 HA LYS 96 HA LYS 96 1.239 4.177 -8.049 717 1HB LYS 96 HB2 LYS 96 3.903 4.576 -6.896 718 2HB LYS 96 HB1 LYS 96 3.762 3.055 -7.780 719 1HG LYS 96 HG2 LYS 96 3.806 4.146 -9.747 720 2HG LYS 96 HG1 LYS 96 2.440 5.149 -9.255 721 1HD LYS 96 HD2 LYS 96 3.843 6.902 -9.135 722 2HD LYS 96 HD1 LYS 96 4.654 6.102 -7.788 723 1HE LYS 96 HE2 LYS 96 6.461 5.641 -9.055 724 2HE LYS 96 HE1 LYS 96 5.459 4.940 -10.327 725 1HZ LYS 96 HZ2 LYS 96 5.156 7.757 -10.249 726 2HZ LYS 96 HZ1 LYS 96 6.799 7.350 -10.400 727 3HZ LYS 96 HZ3 LYS 96 5.676 6.770 -11.531 728 H LEU 97 HN LEU 97 -0.268 2.952 -6.243 729 HA LEU 97 HA LEU 97 0.975 0.351 -5.547 730 1HB LEU 97 HB2 LEU 97 -0.885 1.977 -4.247 731 2HB LEU 97 HB1 LEU 97 -1.829 0.605 -4.826 732 HG LEU 97 HG LEU 97 0.633 -0.418 -3.830 733 1HD1 LEU 97 HD11 LEU 97 -0.130 1.980 -2.491 734 2HD1 LEU 97 HD13 LEU 97 -0.487 0.631 -1.412 735 3HD1 LEU 97 HD12 LEU 97 1.145 0.848 -2.043 736 1HD2 LEU 97 HD23 LEU 97 -2.286 -0.588 -3.242 737 2HD2 LEU 97 HD22 LEU 97 -1.142 -1.873 -3.630 738 3HD2 LEU 97 HD21 LEU 97 -1.183 -1.190 -2.005 739 H VAL 98 HN VAL 98 -2.439 0.840 -6.522 740 HA VAL 98 HA VAL 98 -2.279 -1.592 -8.133 741 HB VAL 98 HB VAL 98 -4.627 -1.393 -8.366 742 1HG1 VAL 98 HG13 VAL 98 -3.635 -0.341 -5.718 743 2HG1 VAL 98 HG12 VAL 98 -5.316 -0.801 -5.990 744 3HG1 VAL 98 HG11 VAL 98 -4.036 -2.005 -6.139 745 1HG2 VAL 98 HG23 VAL 98 -4.256 1.500 -7.521 746 2HG2 VAL 98 HG22 VAL 98 -4.757 0.932 -9.113 747 3HG2 VAL 98 HG21 VAL 98 -5.822 0.715 -7.724 748 H THR 99 HN THR 99 -0.747 0.826 -9.073 749 HA THR 99 HA THR 99 -2.228 1.409 -11.575 750 HB THR 99 HB THR 99 -0.777 3.246 -11.897 751 HG1 THR 99 HG1 THR 99 0.999 2.362 -9.914 752 1HG2 THR 99 HG23 THR 99 -1.874 2.816 -9.299 753 2HG2 THR 99 HG22 THR 99 -0.330 3.646 -9.109 754 3HG2 THR 99 HG21 THR 99 -1.590 4.348 -10.124 755 H GLU 100 HN GLU 100 -0.714 1.368 -13.644 756 HA GLU 100 HA GLU 100 0.169 -1.301 -14.023 757 1HB GLU 100 HB2 GLU 100 0.008 1.100 -15.558 758 2HB GLU 100 HB1 GLU 100 1.614 0.412 -15.795 759 1HG GLU 100 HG2 GLU 100 0.808 -1.371 -16.942 760 2HG GLU 100 HG1 GLU 100 -0.542 -1.587 -15.828 761 H VAL 101 HN VAL 101 1.806 0.956 -12.047 762 HA VAL 101 HA VAL 101 4.463 -0.100 -12.837 763 HB VAL 101 HB VAL 101 3.719 2.105 -10.895 764 1HG1 VAL 101 HG12 VAL 101 6.314 0.890 -11.792 765 2HG1 VAL 101 HG11 VAL 101 6.254 2.605 -11.390 766 3HG1 VAL 101 HG13 VAL 101 5.822 1.401 -10.177 767 1HG2 VAL 101 HG23 VAL 101 3.662 2.096 -13.692 768 2HG2 VAL 101 HG22 VAL 101 3.720 3.522 -12.655 769 3HG2 VAL 101 HG21 VAL 101 5.215 2.832 -13.289 770 H GLU 102 HN GLU 102 2.075 -1.195 -10.891 771 HA GLU 102 HA GLU 102 4.071 -2.405 -9.051 772 1HB GLU 102 HB2 GLU 102 1.980 -0.514 -8.296 773 2HB GLU 102 HB1 GLU 102 1.851 -2.037 -7.416 774 1HG GLU 102 HG2 GLU 102 4.588 -1.495 -7.433 775 2HG GLU 102 HG1 GLU 102 3.837 0.076 -7.150 776 H CYS 103 HN CYS 103 0.588 -2.657 -8.603 777 HA CYS 103 HA CYS 103 0.579 -5.322 -9.947 778 1HB CYS 103 HB2 CYS 103 -0.605 -5.002 -7.196 779 2HB CYS 103 HB1 CYS 103 -0.118 -6.476 -8.021 780 H ASN 104 HN ASN 104 -0.660 -2.792 -10.726 781 HA ASN 104 HA ASN 104 -3.153 -2.117 -9.976 782 1HB ASN 104 HB2 ASN 104 -3.666 -1.484 -12.208 783 2HB ASN 104 HB1 ASN 104 -1.915 -1.371 -12.069 784 1HD2 ASN 104 HD22 ASN 104 -1.288 -4.003 -14.367 785 2HD2 ASN 104 HD21 ASN 104 -0.611 -2.977 -13.197 786 H LEU 105 HN LEU 105 -2.653 -5.021 -12.056 787 HA LEU 105 HA LEU 105 -4.261 -6.705 -12.558 788 1HB LEU 105 HB2 LEU 105 -4.337 -6.345 -9.560 789 2HB LEU 105 HB1 LEU 105 -5.296 -7.589 -10.358 790 HG LEU 105 HG LEU 105 -2.625 -7.675 -11.403 791 1HD1 LEU 105 HD12 LEU 105 -2.743 -6.869 -8.658 792 2HD1 LEU 105 HD11 LEU 105 -2.174 -8.537 -8.717 793 3HD1 LEU 105 HD13 LEU 105 -1.317 -7.282 -9.612 794 1HD2 LEU 105 HD21 LEU 105 -4.657 -9.408 -10.180 795 2HD2 LEU 105 HD23 LEU 105 -3.530 -9.757 -11.491 796 3HD2 LEU 105 HD22 LEU 105 -3.009 -9.913 -9.813 797 H ALA 106 HN ALA 106 -5.309 -3.834 -12.617 798 HA ALA 106 HA ALA 106 -7.390 -2.792 -12.892 799 1HB ALA 106 HB1 ALA 106 -7.721 -5.354 -13.843 800 2HB ALA 106 HB3 ALA 106 -8.969 -5.273 -12.600 801 3HB ALA 106 HB2 ALA 106 -8.957 -4.097 -13.916 802 H THR 107 HN THR 107 -9.219 -2.125 -11.569 803 HA THR 107 HA THR 107 -9.181 -3.292 -8.808 804 HB THR 107 HB THR 107 -9.066 -1.166 -7.833 805 HG1 THR 107 HG1 THR 107 -9.877 0.617 -8.794 806 1HG2 THR 107 HG21 THR 107 -7.029 -1.730 -9.260 807 2HG2 THR 107 HG23 THR 107 -7.671 -0.599 -10.450 808 3HG2 THR 107 HG22 THR 107 -7.233 -0.030 -8.840 809 H ILE 108 HN ILE 108 -11.294 -2.190 -7.637 810 HA ILE 108 HA ILE 108 -13.580 -3.255 -9.010 811 HB ILE 108 HB ILE 108 -13.369 -2.950 -6.514 812 1HG1 ILE 108 HG12 ILE 108 -15.761 -2.032 -6.274 813 2HG1 ILE 108 HG11 ILE 108 -15.735 -1.829 -8.026 814 1HG2 ILE 108 HG22 ILE 108 -12.439 -0.593 -6.769 815 2HG2 ILE 108 HG21 ILE 108 -14.089 -0.071 -7.107 816 3HG2 ILE 108 HG23 ILE 108 -13.691 -0.784 -5.543 817 1HD1 ILE 108 HD11 ILE 108 -14.947 -4.466 -6.815 818 2HD1 ILE 108 HD13 ILE 108 -16.653 -4.067 -7.016 819 3HD1 ILE 108 HD12 ILE 108 -15.591 -4.131 -8.422 820 H HIS 109 HN HIS 109 -12.167 -0.062 -8.791 821 HA HIS 109 HA HIS 109 -14.276 1.490 -9.896 822 1HB HIS 109 HB2 HIS 109 -11.275 1.885 -10.055 823 2HB HIS 109 HB1 HIS 109 -12.490 3.120 -10.376 824 HD1 HIS 109 HD1 HIS 109 -13.742 4.124 -8.345 825 HD2 HIS 109 HD2 HIS 109 -10.987 1.175 -7.317 826 HE1 HIS 109 HE1 HIS 109 -13.478 4.234 -5.829 827 H GLY 110 HN GLY 110 -12.642 -1.040 -11.428 828 1HA GLY 110 HA2 GLY 110 -12.554 -1.681 -13.676 829 2HA GLY 110 HA1 GLY 110 -13.770 -0.438 -13.981 830 H GLY 111 HN GLY 111 -10.634 0.259 -12.543 831 1HA GLY 111 HA2 GLY 111 -9.440 1.112 -15.063 832 2HA GLY 111 HA1 GLY 111 -9.986 2.463 -14.069 833 HA PRO 112 HA PRO 112 -5.739 0.957 -12.703 834 1HB PRO 112 HB2 PRO 112 -4.304 3.062 -13.769 835 2HB PRO 112 HB1 PRO 112 -4.555 1.516 -14.594 836 1HG PRO 112 HG2 PRO 112 -5.806 4.170 -15.113 837 2HG PRO 112 HG1 PRO 112 -5.574 2.808 -16.221 838 1HD PRO 112 HD2 PRO 112 -8.000 3.516 -14.948 839 2HD PRO 112 HD1 PRO 112 -7.669 1.992 -15.796 840 H PHE 113 HN PHE 113 -7.201 1.839 -10.792 841 HA PHE 113 HA PHE 113 -5.669 3.576 -9.215 842 1HB PHE 113 HB2 PHE 113 -6.894 5.690 -9.245 843 2HB PHE 113 HB1 PHE 113 -6.267 5.343 -10.849 844 HD1 PHE 113 HD2 PHE 113 -9.337 5.193 -8.730 845 HD2 PHE 113 HD1 PHE 113 -7.721 5.064 -12.709 846 HE1 PHE 113 HE2 PHE 113 -11.626 5.388 -9.672 847 HE2 PHE 113 HE1 PHE 113 -10.005 5.263 -13.648 848 HZ PHE 113 HZ PHE 113 -11.962 5.434 -12.136 849 H CYS 114 HN CYS 114 -6.766 4.190 -7.168 850 HA CYS 114 HA CYS 114 -9.450 3.017 -6.771 851 1HB CYS 114 HB2 CYS 114 -8.516 1.956 -4.594 852 2HB CYS 114 HB1 CYS 114 -8.202 1.123 -6.109 853 H LEU 115 HN LEU 115 -10.391 3.760 -4.653 854 HA LEU 115 HA LEU 115 -9.167 5.576 -2.886 855 1HB LEU 115 HB2 LEU 115 -8.850 7.020 -4.881 856 2HB LEU 115 HB1 LEU 115 -10.589 6.993 -5.165 857 HG LEU 115 HG LEU 115 -10.622 7.782 -2.605 858 1HD1 LEU 115 HD11 LEU 115 -8.155 7.688 -2.402 859 2HD1 LEU 115 HD13 LEU 115 -8.008 8.861 -3.710 860 3HD1 LEU 115 HD12 LEU 115 -8.753 9.333 -2.183 861 1HD2 LEU 115 HD23 LEU 115 -11.579 8.957 -4.599 862 2HD2 LEU 115 HD22 LEU 115 -10.855 10.069 -3.435 863 3HD2 LEU 115 HD21 LEU 115 -9.988 9.651 -4.913 864 H SER 116 HN SER 116 -12.207 5.946 -4.730 865 HA SER 116 HA SER 116 -13.841 4.694 -2.711 866 1HB SER 116 HB2 SER 116 -13.214 7.551 -2.418 867 2HB SER 116 HB1 SER 116 -14.942 7.215 -2.452 868 HG SER 116 HG SER 116 -14.707 5.862 -0.729 869 H LEU 117 HN LEU 117 -14.555 7.680 -4.500 870 HA LEU 117 HA LEU 117 -16.185 8.081 -6.143 871 1HB LEU 117 HB2 LEU 117 -14.913 5.495 -7.066 872 2HB LEU 117 HB1 LEU 117 -16.111 6.357 -8.030 873 HG LEU 117 HG LEU 117 -14.501 8.423 -7.508 874 1HD1 LEU 117 HD12 LEU 117 -12.878 5.954 -7.021 875 2HD1 LEU 117 HD11 LEU 117 -12.113 7.308 -7.852 876 3HD1 LEU 117 HD13 LEU 117 -12.782 7.529 -6.235 877 1HD2 LEU 117 HD21 LEU 117 -14.874 6.569 -9.667 878 2HD2 LEU 117 HD23 LEU 117 -14.402 8.267 -9.754 879 3HD2 LEU 117 HD22 LEU 117 -13.168 7.015 -9.599 880 H LEU 118 HN LEU 118 -16.872 6.281 -3.723 881 HA LEU 118 HA LEU 118 -18.815 5.254 -2.949 882 1HB LEU 118 HB2 LEU 118 -19.760 6.431 -5.537 883 2HB LEU 118 HB1 LEU 118 -20.795 5.325 -4.643 884 HG LEU 118 HG LEU 118 -20.415 6.760 -2.600 885 1HD1 LEU 118 HD12 LEU 118 -19.145 8.569 -4.680 886 2HD1 LEU 118 HD11 LEU 118 -19.556 9.063 -3.038 887 3HD1 LEU 118 HD13 LEU 118 -18.329 7.824 -3.306 888 1HD2 LEU 118 HD22 LEU 118 -21.977 7.357 -4.984 889 2HD2 LEU 118 HD21 LEU 118 -22.440 7.495 -3.287 890 3HD2 LEU 118 HD23 LEU 118 -21.597 8.825 -4.083 891 H GLY 119 HN GLY 119 -17.238 4.055 -5.750 892 1HA GLY 119 HA2 GLY 119 -16.979 1.800 -6.378 893 2HA GLY 119 HA1 GLY 119 -18.119 1.361 -5.107 894 H ALA 120 HN ALA 120 -18.745 3.715 -7.678 895 HA ALA 120 HA ALA 120 -20.588 3.791 -9.153 896 1HB ALA 120 HB1 ALA 120 -18.778 1.796 -9.863 897 2HB ALA 120 HB3 ALA 120 -20.349 1.001 -9.956 898 3HB ALA 120 HB2 ALA 120 -20.045 2.464 -10.892 899 H GLY 121 HN GLY 121 -22.020 3.773 -7.141 900 1HA GLY 121 HA2 GLY 121 -23.257 1.364 -6.220 901 2HA GLY 121 HA1 GLY 121 -23.940 2.982 -6.042 902 H GLU 122 HN GLU 122 -23.641 3.184 -9.121 903 HA GLU 122 HA GLU 122 -25.201 1.305 -10.471 904 1HB GLU 122 HB2 GLU 122 -26.763 2.829 -8.556 905 2HB GLU 122 HB1 GLU 122 -27.343 3.105 -10.199 906 1HG GLU 122 HG2 GLU 122 -26.699 0.289 -9.589 907 2HG GLU 122 HG1 GLU 122 -28.047 0.950 -8.662 No H/Q in entry = 907 Start of MODEL 16 Raw file had 930 H/Q atoms Start of MODEL 16 1 1H SER 1 HT2 SER 1 -23.926 8.515 6.061 2 2H SER 1 HT1 SER 1 -24.714 7.269 6.911 3 3H SER 1 HT3 SER 1 -23.720 8.364 7.743 4 HA SER 1 HA SER 1 -22.500 6.354 7.511 5 1HB SER 1 HB2 SER 1 -22.040 5.573 5.108 6 2HB SER 1 HB1 SER 1 -23.650 5.254 5.746 7 HG SER 1 HG SER 1 -22.872 7.450 4.115 8 H VAL 2 HN VAL 2 -20.286 6.583 7.404 9 HA VAL 2 HA VAL 2 -19.064 8.591 5.631 10 HB VAL 2 HB VAL 2 -17.776 9.418 7.832 11 1HG1 VAL 2 HG11 VAL 2 -20.046 10.373 6.257 12 2HG1 VAL 2 HG13 VAL 2 -20.013 11.067 7.880 13 3HG1 VAL 2 HG12 VAL 2 -18.617 11.241 6.818 14 1HG2 VAL 2 HG22 VAL 2 -19.670 7.855 9.053 15 2HG2 VAL 2 HG21 VAL 2 -18.894 9.243 9.816 16 3HG2 VAL 2 HG23 VAL 2 -20.475 9.426 9.053 17 H GLY 3 HN GLY 3 -17.594 7.396 8.638 18 1HA GLY 3 HA2 GLY 3 -15.735 5.761 6.966 19 2HA GLY 3 HA1 GLY 3 -15.303 6.498 8.510 20 H THR 4 HN THR 4 -17.066 3.878 6.979 21 HA THR 4 HA THR 4 -16.636 2.049 9.126 22 HB THR 4 HB THR 4 -18.275 3.432 10.325 23 HG1 THR 4 HG1 THR 4 -19.017 1.635 11.067 24 1HG2 THR 4 HG22 THR 4 -19.486 3.617 7.759 25 2HG2 THR 4 HG21 THR 4 -20.640 2.804 8.817 26 3HG2 THR 4 HG23 THR 4 -20.006 4.389 9.258 27 H SER 5 HN SER 5 -16.027 1.289 6.838 28 HA SER 5 HA SER 5 -18.328 -0.207 5.649 29 1HB SER 5 HB2 SER 5 -17.315 1.758 4.275 30 2HB SER 5 HB1 SER 5 -15.945 0.680 4.030 31 HG SER 5 HG SER 5 -17.250 0.143 2.402 32 H CYS 6 HN CYS 6 -17.584 -2.237 4.496 33 HA CYS 6 HA CYS 6 -16.539 -4.332 4.633 34 1HB CYS 6 HB2 CYS 6 -13.955 -2.863 5.146 35 2HB CYS 6 HB1 CYS 6 -14.223 -4.337 4.215 36 H ILE 7 HN ILE 7 -14.462 -5.346 6.137 37 HA ILE 7 HA ILE 7 -14.961 -4.550 8.946 38 HB ILE 7 HB ILE 7 -16.576 -6.358 8.190 39 1HG1 ILE 7 HG12 ILE 7 -15.939 -5.880 10.579 40 2HG1 ILE 7 HG11 ILE 7 -16.481 -7.527 10.285 41 1HG2 ILE 7 HG23 ILE 7 -14.982 -7.634 6.796 42 2HG2 ILE 7 HG22 ILE 7 -14.100 -8.100 8.250 43 3HG2 ILE 7 HG21 ILE 7 -15.759 -8.649 8.011 44 1HD1 ILE 7 HD13 ILE 7 -13.711 -7.639 9.879 45 2HD1 ILE 7 HD12 ILE 7 -13.910 -6.581 11.274 46 3HD1 ILE 7 HD11 ILE 7 -14.586 -8.206 11.298 47 HA PRO 8 HA PRO 8 -10.521 -5.272 8.715 48 1HB PRO 8 HB2 PRO 8 -9.900 -4.601 11.312 49 2HB PRO 8 HB1 PRO 8 -10.190 -3.415 10.029 50 1HG PRO 8 HG2 PRO 8 -11.971 -4.217 12.286 51 2HG PRO 8 HG1 PRO 8 -11.880 -2.673 11.422 52 1HD PRO 8 HD2 PRO 8 -13.838 -4.651 11.031 53 2HD PRO 8 HD1 PRO 8 -13.496 -3.303 9.930 54 H GLY 9 HN GLY 9 -8.941 -6.842 9.599 55 1HA GLY 9 HA2 GLY 9 -8.247 -8.728 10.842 56 2HA GLY 9 HA1 GLY 9 -9.780 -8.703 11.702 57 H MET 10 HN MET 10 -10.752 -8.514 8.574 58 HA MET 10 HA MET 10 -10.608 -11.442 8.042 59 1HB MET 10 HB2 MET 10 -13.133 -9.782 7.798 60 2HB MET 10 HB1 MET 10 -12.978 -11.516 7.524 61 1HG MET 10 HG2 MET 10 -11.929 -11.136 10.090 62 2HG MET 10 HG1 MET 10 -13.338 -10.076 10.031 63 1HE MET 10 HE1 MET 10 -11.709 -13.213 9.685 64 2HE MET 10 HE3 MET 10 -12.851 -14.457 10.213 65 3HE MET 10 HE2 MET 10 -12.744 -14.020 8.510 66 H ALA 11 HN ALA 11 -9.528 -11.447 5.935 67 HA ALA 11 HA ALA 11 -9.384 -11.092 3.613 68 1HB ALA 11 HB1 ALA 11 -11.852 -10.291 3.716 69 2HB ALA 11 HB3 ALA 11 -11.173 -8.666 3.810 70 3HB ALA 11 HB2 ALA 11 -10.843 -9.680 2.405 71 H ILE 12 HN ILE 12 -9.715 -8.016 5.418 72 HA ILE 12 HA ILE 12 -7.084 -7.160 4.331 73 HB ILE 12 HB ILE 12 -9.144 -5.445 5.746 74 1HG1 ILE 12 HG12 ILE 12 -8.723 -5.683 2.752 75 2HG1 ILE 12 HG11 ILE 12 -10.010 -6.523 3.615 76 1HG2 ILE 12 HG22 ILE 12 -6.488 -4.957 5.118 77 2HG2 ILE 12 HG21 ILE 12 -7.351 -4.234 3.760 78 3HG2 ILE 12 HG23 ILE 12 -7.714 -3.724 5.408 79 1HD1 ILE 12 HD13 ILE 12 -10.203 -3.884 4.518 80 2HD1 ILE 12 HD12 ILE 12 -9.858 -3.727 2.797 81 3HD1 ILE 12 HD11 ILE 12 -11.254 -4.660 3.334 82 HA PRO 13 HA PRO 13 -6.269 -8.228 8.698 83 1HB PRO 13 HB2 PRO 13 -3.629 -8.918 8.388 84 2HB PRO 13 HB1 PRO 13 -4.984 -10.022 8.103 85 1HG PRO 13 HG2 PRO 13 -3.189 -8.739 6.133 86 2HG PRO 13 HG1 PRO 13 -4.237 -10.151 5.933 87 1HD PRO 13 HD2 PRO 13 -4.718 -7.458 5.056 88 2HD PRO 13 HD1 PRO 13 -5.809 -8.859 4.880 89 H HIS 14 HN HIS 14 -4.515 -7.511 10.271 90 HA HIS 14 HA HIS 14 -4.221 -4.659 10.153 91 1HB HIS 14 HB2 HIS 14 -3.007 -6.728 12.029 92 2HB HIS 14 HB1 HIS 14 -3.113 -5.009 12.324 93 HD1 HIS 14 HD1 HIS 14 -5.221 -4.158 13.419 94 HD2 HIS 14 HD2 HIS 14 -5.696 -7.971 11.810 95 HE1 HIS 14 HE1 HIS 14 -7.523 -4.962 14.137 96 H ASN 15 HN ASN 15 -2.228 -3.458 9.816 97 HA ASN 15 HA ASN 15 -0.086 -3.024 9.000 98 1HB ASN 15 HB2 ASN 15 0.296 -4.973 10.841 99 2HB ASN 15 HB1 ASN 15 0.849 -5.825 9.399 100 1HD2 ASN 15 HD22 ASN 15 3.539 -3.577 11.050 101 2HD2 ASN 15 HD21 ASN 15 2.353 -4.535 11.795 102 HA PRO 16 HA PRO 16 -1.263 -5.360 5.113 103 1HB PRO 16 HB2 PRO 16 -2.402 -3.271 3.760 104 2HB PRO 16 HB1 PRO 16 -3.313 -4.353 4.829 105 1HG PRO 16 HG2 PRO 16 -2.464 -1.536 5.295 106 2HG PRO 16 HG1 PRO 16 -3.821 -2.430 5.997 107 1HD PRO 16 HD2 PRO 16 -1.331 -1.890 7.268 108 2HD PRO 16 HD1 PRO 16 -2.597 -3.001 7.832 109 H LEU 17 HN LEU 17 -0.181 -5.235 3.116 110 HA LEU 17 HA LEU 17 1.654 -4.782 1.739 111 1HB LEU 17 HB2 LEU 17 0.476 -2.031 2.197 112 2HB LEU 17 HB1 LEU 17 1.666 -2.394 0.949 113 HG LEU 17 HG LEU 17 -0.227 -4.390 0.583 114 1HD1 LEU 17 HD12 LEU 17 -1.499 -2.378 2.120 115 2HD1 LEU 17 HD11 LEU 17 -2.089 -2.179 0.471 116 3HD1 LEU 17 HD13 LEU 17 -2.260 -3.732 1.288 117 1HD2 LEU 17 HD23 LEU 17 0.996 -2.603 -0.978 118 2HD2 LEU 17 HD22 LEU 17 -0.460 -3.441 -1.515 119 3HD2 LEU 17 HD21 LEU 17 -0.572 -1.800 -0.877 120 H ASP 18 HN ASP 18 2.409 -4.917 4.562 121 HA ASP 18 HA ASP 18 4.227 -2.768 5.222 122 1HB ASP 18 HB2 ASP 18 5.259 -4.490 6.797 123 2HB ASP 18 HB1 ASP 18 3.530 -4.198 7.025 124 H SER 19 HN SER 19 4.478 -5.710 3.350 125 HA SER 19 HA SER 19 7.337 -5.791 3.060 126 1HB SER 19 HB2 SER 19 5.028 -7.193 2.023 127 2HB SER 19 HB1 SER 19 6.117 -6.802 0.698 128 HG SER 19 HG SER 19 6.444 -8.490 2.872 129 H CYS 20 HN CYS 20 4.732 -4.070 1.469 130 HA CYS 20 HA CYS 20 6.257 -3.059 -0.756 131 1HB CYS 20 HB2 CYS 20 3.775 -1.862 0.479 132 2HB CYS 20 HB1 CYS 20 4.358 -1.652 -1.176 133 H ARG 21 HN ARG 21 5.599 -1.988 2.522 134 HA ARG 21 HA ARG 21 6.582 0.676 2.316 135 1HB ARG 21 HB2 ARG 21 5.889 0.713 4.470 136 2HB ARG 21 HB1 ARG 21 5.547 -1.003 4.349 137 1HG ARG 21 HG2 ARG 21 7.694 -1.584 5.264 138 2HG ARG 21 HG1 ARG 21 8.288 0.067 5.097 139 1HD ARG 21 HD2 ARG 21 6.179 0.592 6.641 140 2HD ARG 21 HD1 ARG 21 6.443 -1.081 7.138 141 HE ARG 21 HE ARG 21 8.631 0.958 7.262 142 1HH1 ARG 21 HH21 ARG 21 7.833 -2.196 8.028 143 2HH1 ARG 21 HH22 ARG 21 8.303 -2.103 9.693 144 1HH2 ARG 21 HH11 ARG 21 8.783 1.327 9.649 145 2HH2 ARG 21 HH12 ARG 21 8.838 -0.114 10.608 146 H TRP 22 HN TRP 22 8.211 -2.299 3.441 147 HA TRP 22 HA TRP 22 10.792 -1.064 3.578 148 1HB TRP 22 HB2 TRP 22 9.957 -3.942 3.653 149 2HB TRP 22 HB1 TRP 22 11.650 -3.506 3.509 150 HD1 TRP 22 HD1 TRP 22 9.293 -4.181 6.103 151 HE1 TRP 22 HE1 TRP 22 9.967 -3.013 8.327 152 HE3 TRP 22 HE3 TRP 22 12.689 -1.031 4.278 153 HZ2 TRP 22 HZ2 TRP 22 11.808 -0.908 9.160 154 HZ3 TRP 22 HZ3 TRP 22 13.936 0.578 5.735 155 HH2 TRP 22 HH2 TRP 22 13.491 0.629 8.180 156 H TYR 23 HN TYR 23 9.036 -2.529 0.962 157 HA TYR 23 HA TYR 23 11.294 -2.948 -0.782 158 1HB TYR 23 HB2 TYR 23 9.128 -4.058 -1.178 159 2HB TYR 23 HB1 TYR 23 8.384 -2.500 -1.521 160 HD1 TYR 23 HD1 TYR 23 11.783 -3.756 -2.532 161 HD2 TYR 23 HD2 TYR 23 7.832 -2.640 -3.810 162 HE1 TYR 23 HE1 TYR 23 12.499 -3.919 -4.898 163 HE2 TYR 23 HE2 TYR 23 8.554 -2.803 -6.174 164 HH TYR 23 HH TYR 23 11.321 -4.341 -7.154 165 H VAL 24 HN VAL 24 9.280 -0.179 0.056 166 HA VAL 24 HA VAL 24 10.279 1.503 -2.121 167 HB VAL 24 HB VAL 24 9.115 2.367 0.548 168 1HG1 VAL 24 HG11 VAL 24 10.118 3.796 -1.863 169 2HG1 VAL 24 HG13 VAL 24 8.617 4.406 -1.164 170 3HG1 VAL 24 HG12 VAL 24 10.080 4.323 -0.181 171 1HG2 VAL 24 HG21 VAL 24 7.897 1.621 -2.089 172 2HG2 VAL 24 HG23 VAL 24 7.301 1.309 -0.458 173 3HG2 VAL 24 HG22 VAL 24 7.157 2.921 -1.151 174 H SER 25 HN SER 25 11.064 0.938 1.306 175 HA SER 25 HA SER 25 13.074 2.861 1.667 176 1HB SER 25 HB2 SER 25 13.585 0.136 2.771 177 2HB SER 25 HB1 SER 25 13.733 1.708 3.548 178 HG SER 25 HG SER 25 11.834 1.277 4.334 179 H THR 26 HN THR 26 13.325 -0.369 0.187 180 HA THR 26 HA THR 26 16.197 -0.212 -0.247 181 HB THR 26 HB THR 26 14.054 -2.114 -1.245 182 HG1 THR 26 HG1 THR 26 14.891 -3.427 0.313 183 1HG2 THR 26 HG23 THR 26 17.063 -2.353 -1.574 184 2HG2 THR 26 HG22 THR 26 15.885 -3.603 -1.973 185 3HG2 THR 26 HG21 THR 26 15.909 -2.091 -2.881 186 H ARG 27 HN ARG 27 13.431 -0.106 -2.513 187 HA ARG 27 HA ARG 27 14.912 0.372 -4.875 188 1HB ARG 27 HB2 ARG 27 12.083 1.124 -4.104 189 2HB ARG 27 HB1 ARG 27 12.733 1.364 -5.726 190 1HG ARG 27 HG2 ARG 27 13.104 -1.335 -4.532 191 2HG ARG 27 HG1 ARG 27 11.461 -0.894 -4.996 192 1HD ARG 27 HD2 ARG 27 12.687 -2.008 -6.855 193 2HD ARG 27 HD1 ARG 27 12.211 -0.360 -7.266 194 HE ARG 27 HE ARG 27 14.554 0.323 -6.891 195 1HH1 ARG 27 HH21 ARG 27 16.373 -0.971 -5.642 196 2HH1 ARG 27 HH22 ARG 27 16.894 -2.355 -6.543 197 1HH2 ARG 27 HH11 ARG 27 14.129 -2.363 -8.638 198 2HH2 ARG 27 HH12 ARG 27 15.622 -3.145 -8.239 199 H THR 28 HN THR 28 14.018 2.531 -2.300 200 HA THR 28 HA THR 28 14.681 4.914 -3.906 201 HB THR 28 HB THR 28 13.695 6.188 -2.032 202 HG1 THR 28 HG1 THR 28 12.863 5.075 -0.281 203 1HG2 THR 28 HG22 THR 28 12.032 3.801 -2.863 204 2HG2 THR 28 HG21 THR 28 11.404 5.314 -2.210 205 3HG2 THR 28 HG23 THR 28 12.211 5.298 -3.779 206 H CYS 29 HN CYS 29 15.541 3.944 -0.521 207 HA CYS 29 HA CYS 29 18.107 5.403 -0.852 208 1HB CYS 29 HB2 CYS 29 16.526 4.533 1.565 209 2HB CYS 29 HB1 CYS 29 18.196 5.083 1.697 210 H GLY 30 HN GLY 30 17.373 2.470 -1.647 211 1HA GLY 30 HA2 GLY 30 18.496 0.394 -1.715 212 2HA GLY 30 HA1 GLY 30 19.949 1.317 -1.338 213 H VAL 31 HN VAL 31 17.329 1.503 0.939 214 HA VAL 31 HA VAL 31 18.871 -0.178 2.867 215 HB VAL 31 HB VAL 31 16.771 1.953 3.405 216 1HG1 VAL 31 HG11 VAL 31 18.507 0.238 5.186 217 2HG1 VAL 31 HG13 VAL 31 17.828 1.765 5.747 218 3HG1 VAL 31 HG12 VAL 31 16.758 0.456 5.246 219 1HG2 VAL 31 HG21 VAL 31 19.365 2.355 2.542 220 2HG2 VAL 31 HG23 VAL 31 18.424 3.507 3.488 221 3HG2 VAL 31 HG22 VAL 31 19.542 2.409 4.296 222 H GLY 32 HN GLY 32 17.530 -1.515 4.371 223 1HA GLY 32 HA2 GLY 32 15.042 -2.224 4.687 224 2HA GLY 32 HA1 GLY 32 15.157 -2.571 2.959 225 HA PRO 33 HA PRO 33 16.727 -6.276 5.529 226 1HB PRO 33 HB2 PRO 33 14.879 -8.149 4.660 227 2HB PRO 33 HB1 PRO 33 14.723 -7.214 6.158 228 1HG PRO 33 HG2 PRO 33 13.350 -6.813 3.527 229 2HG PRO 33 HG1 PRO 33 12.745 -6.527 5.168 230 1HD PRO 33 HD2 PRO 33 13.596 -4.526 3.492 231 2HD PRO 33 HD1 PRO 33 13.612 -4.408 5.266 232 H ARG 34 HN ARG 34 17.473 -8.452 4.430 233 HA ARG 34 HA ARG 34 18.487 -7.744 1.754 234 1HB ARG 34 HB2 ARG 34 20.032 -8.553 3.549 235 2HB ARG 34 HB1 ARG 34 19.206 -10.112 3.504 236 1HG ARG 34 HG2 ARG 34 19.891 -10.525 1.258 237 2HG ARG 34 HG1 ARG 34 20.402 -8.852 1.029 238 1HD ARG 34 HD2 ARG 34 21.946 -9.506 3.150 239 2HD ARG 34 HD1 ARG 34 21.805 -11.091 2.387 240 HE ARG 34 HE ARG 34 23.398 -8.920 1.402 241 1HH1 ARG 34 HH11 ARG 34 22.713 -12.052 0.766 242 2HH1 ARG 34 HH12 ARG 34 22.729 -11.935 -0.962 243 1HH2 ARG 34 HH21 ARG 34 22.772 -8.467 -0.989 244 2HH2 ARG 34 HH22 ARG 34 22.762 -9.905 -1.956 245 H LEU 35 HN LEU 35 16.581 -8.065 0.581 246 HA LEU 35 HA LEU 35 16.038 -10.903 -0.124 247 1HB LEU 35 HB2 LEU 35 13.927 -8.793 0.451 248 2HB LEU 35 HB1 LEU 35 13.597 -10.372 -0.266 249 HG LEU 35 HG LEU 35 15.000 -10.046 2.394 250 1HD1 LEU 35 HD13 LEU 35 12.675 -9.061 2.386 251 2HD1 LEU 35 HD12 LEU 35 12.068 -10.656 1.944 252 3HD1 LEU 35 HD11 LEU 35 12.884 -10.421 3.489 253 1HD2 LEU 35 HD22 LEU 35 14.271 -12.279 0.649 254 2HD2 LEU 35 HD21 LEU 35 15.339 -12.257 2.052 255 3HD2 LEU 35 HD23 LEU 35 13.602 -12.469 2.269 256 H ALA 36 HN ALA 36 16.071 -11.142 -2.332 257 HA ALA 36 HA ALA 36 16.951 -9.160 -4.090 258 1HB ALA 36 HB3 ALA 36 16.425 -11.810 -4.347 259 2HB ALA 36 HB2 ALA 36 15.093 -11.138 -5.289 260 3HB ALA 36 HB1 ALA 36 16.760 -10.752 -5.717 261 H THR 37 HN THR 37 15.876 -7.680 -5.554 262 HA THR 37 HA THR 37 13.504 -6.437 -4.659 263 HB THR 37 HB THR 37 13.478 -5.641 -7.201 264 HG1 THR 37 HG1 THR 37 14.932 -6.847 -8.172 265 1HG2 THR 37 HG21 THR 37 14.604 -4.729 -4.804 266 2HG2 THR 37 HG23 THR 37 15.905 -4.598 -5.989 267 3HG2 THR 37 HG22 THR 37 14.364 -3.792 -6.277 268 H GLN 38 HN GLN 38 13.808 -8.518 -7.581 269 HA GLN 38 HA GLN 38 11.115 -8.582 -8.310 270 1HB GLN 38 HB2 GLN 38 13.451 -10.292 -8.760 271 2HB GLN 38 HB1 GLN 38 11.942 -11.201 -8.796 272 1HG GLN 38 HG2 GLN 38 11.016 -9.625 -10.445 273 2HG GLN 38 HG1 GLN 38 12.512 -8.690 -10.400 274 1HE2 GLN 38 HE22 GLN 38 12.449 -12.292 -12.367 275 2HE2 GLN 38 HE21 GLN 38 11.201 -11.907 -11.282 276 H GLU 39 HN GLU 39 12.657 -10.489 -5.758 277 HA GLU 39 HA GLU 39 10.380 -12.183 -5.216 278 1HB GLU 39 HB2 GLU 39 12.885 -11.460 -3.706 279 2HB GLU 39 HB1 GLU 39 11.627 -12.436 -2.948 280 1HG GLU 39 HG2 GLU 39 11.765 -13.859 -5.139 281 2HG GLU 39 HG1 GLU 39 13.339 -13.086 -5.334 282 H MET 40 HN MET 40 11.511 -9.086 -3.911 283 HA MET 40 HA MET 40 9.648 -8.853 -1.745 284 1HB MET 40 HB2 MET 40 11.783 -7.437 -2.469 285 2HB MET 40 HB1 MET 40 10.597 -6.481 -3.331 286 1HG MET 40 HG2 MET 40 11.063 -6.725 -0.401 287 2HG MET 40 HG1 MET 40 10.589 -5.325 -1.344 288 1HE MET 40 HE1 MET 40 9.992 -8.403 0.278 289 2HE MET 40 HE3 MET 40 9.012 -7.602 1.516 290 3HE MET 40 HE2 MET 40 8.267 -8.735 0.393 291 H LYS 41 HN LYS 41 9.679 -7.452 -5.004 292 HA LYS 41 HA LYS 41 7.129 -6.278 -5.100 293 1HB LYS 41 HB2 LYS 41 8.710 -5.861 -6.862 294 2HB LYS 41 HB1 LYS 41 8.838 -7.573 -7.245 295 1HG LYS 41 HG2 LYS 41 6.097 -6.471 -7.431 296 2HG LYS 41 HG1 LYS 41 7.239 -5.806 -8.599 297 1HD LYS 41 HD2 LYS 41 7.869 -8.103 -9.279 298 2HD LYS 41 HD1 LYS 41 6.693 -8.755 -8.137 299 1HE LYS 41 HE2 LYS 41 5.726 -8.685 -10.390 300 2HE LYS 41 HE1 LYS 41 4.886 -7.551 -9.334 301 1HZ LYS 41 HZ1 LYS 41 7.195 -6.586 -10.861 302 2HZ LYS 41 HZ3 LYS 41 5.734 -6.833 -11.688 303 3HZ LYS 41 HZ2 LYS 41 5.794 -5.756 -10.374 304 H ALA 42 HN ALA 42 8.098 -9.647 -5.590 305 HA ALA 42 HA ALA 42 5.601 -10.660 -6.560 306 1HB ALA 42 HB1 ALA 42 8.049 -11.749 -6.221 307 2HB ALA 42 HB3 ALA 42 7.249 -12.391 -4.785 308 3HB ALA 42 HB2 ALA 42 6.591 -12.729 -6.387 309 H ARG 43 HN ARG 43 6.944 -10.324 -3.285 310 HA ARG 43 HA ARG 43 4.802 -11.525 -1.843 311 1HB ARG 43 HB2 ARG 43 7.060 -9.709 -1.212 312 2HB ARG 43 HB1 ARG 43 5.699 -9.643 -0.092 313 1HG ARG 43 HG2 ARG 43 6.775 -11.416 0.875 314 2HG ARG 43 HG1 ARG 43 5.927 -12.327 -0.375 315 1HD ARG 43 HD2 ARG 43 7.883 -12.134 -1.858 316 2HD ARG 43 HD1 ARG 43 8.732 -11.203 -0.623 317 HE ARG 43 HE ARG 43 8.478 -14.078 -0.676 318 1HH1 ARG 43 HH21 ARG 43 10.089 -11.704 0.883 319 2HH1 ARG 43 HH22 ARG 43 10.001 -12.386 2.473 320 1HH2 ARG 43 HH11 ARG 43 7.679 -14.806 1.593 321 2HH2 ARG 43 HH12 ARG 43 8.635 -14.142 2.875 322 H CYS 44 HN CYS 44 5.366 -8.083 -2.674 323 HA CYS 44 HA CYS 44 3.030 -7.026 -1.448 324 1HB CYS 44 HB2 CYS 44 4.737 -6.084 -3.719 325 2HB CYS 44 HB1 CYS 44 3.229 -5.256 -3.304 326 H CYS 45 HN CYS 45 3.497 -8.508 -4.669 327 HA CYS 45 HA CYS 45 0.886 -7.714 -5.679 328 1HB CYS 45 HB2 CYS 45 2.981 -9.679 -6.591 329 2HB CYS 45 HB1 CYS 45 1.391 -9.661 -7.340 330 H ARG 46 HN ARG 46 2.142 -10.403 -3.823 331 HA ARG 46 HA ARG 46 -0.177 -12.114 -4.199 332 1HB ARG 46 HB2 ARG 46 2.253 -12.700 -3.404 333 2HB ARG 46 HB1 ARG 46 1.656 -12.282 -1.813 334 1HG ARG 46 HG2 ARG 46 1.115 -14.524 -1.836 335 2HG ARG 46 HG1 ARG 46 -0.366 -13.845 -2.510 336 1HD ARG 46 HD2 ARG 46 0.233 -14.425 -4.721 337 2HD ARG 46 HD1 ARG 46 1.927 -14.660 -4.291 338 HE ARG 46 HE ARG 46 1.367 -16.813 -3.403 339 1HH1 ARG 46 HH11 ARG 46 -1.361 -15.622 -2.381 340 2HH1 ARG 46 HH12 ARG 46 -2.457 -16.667 -3.221 341 1HH2 ARG 46 HH21 ARG 46 -0.042 -17.896 -5.385 342 2HH2 ARG 46 HH22 ARG 46 -1.710 -17.955 -4.923 343 H GLN 47 HN GLN 47 0.827 -9.642 -1.883 344 HA GLN 47 HA GLN 47 -1.414 -10.161 -0.056 345 1HB GLN 47 HB2 GLN 47 0.429 -7.755 -0.209 346 2HB GLN 47 HB1 GLN 47 -0.626 -8.178 1.138 347 1HG GLN 47 HG2 GLN 47 0.840 -10.510 0.710 348 2HG GLN 47 HG1 GLN 47 2.020 -9.227 0.452 349 1HE2 GLN 47 HE22 GLN 47 2.023 -8.170 3.853 350 2HE2 GLN 47 HE21 GLN 47 2.445 -7.745 2.265 351 H LEU 48 HN LEU 48 -0.695 -7.894 -2.638 352 HA LEU 48 HA LEU 48 -2.956 -6.171 -2.277 353 1HB LEU 48 HB2 LEU 48 -0.799 -5.654 -3.530 354 2HB LEU 48 HB1 LEU 48 -1.428 -6.636 -4.851 355 HG LEU 48 HG LEU 48 -3.367 -4.678 -3.842 356 1HD1 LEU 48 HD12 LEU 48 -0.744 -3.758 -5.030 357 2HD1 LEU 48 HD11 LEU 48 -2.204 -2.768 -5.011 358 3HD1 LEU 48 HD13 LEU 48 -1.457 -3.264 -3.492 359 1HD2 LEU 48 HD21 LEU 48 -2.316 -5.698 -6.452 360 2HD2 LEU 48 HD23 LEU 48 -3.979 -5.631 -5.868 361 3HD2 LEU 48 HD22 LEU 48 -3.184 -4.163 -6.437 362 H GLU 49 HN GLU 49 -2.359 -9.057 -4.277 363 HA GLU 49 HA GLU 49 -4.965 -8.867 -5.588 364 1HB GLU 49 HB2 GLU 49 -2.994 -9.977 -6.668 365 2HB GLU 49 HB1 GLU 49 -3.050 -11.229 -5.429 366 1HG GLU 49 HG2 GLU 49 -5.689 -10.950 -6.515 367 2HG GLU 49 HG1 GLU 49 -4.558 -11.074 -7.861 368 H ALA 50 HN ALA 50 -3.526 -10.789 -2.949 369 HA ALA 50 HA ALA 50 -5.718 -12.483 -2.325 370 1HB ALA 50 HB1 ALA 50 -3.445 -11.314 -0.764 371 2HB ALA 50 HB3 ALA 50 -4.776 -12.031 0.143 372 3HB ALA 50 HB2 ALA 50 -3.875 -13.005 -1.017 373 H ILE 51 HN ILE 51 -5.031 -9.146 -1.529 374 HA ILE 51 HA ILE 51 -7.528 -8.753 -0.016 375 HB ILE 51 HB ILE 51 -5.444 -6.734 -0.924 376 1HG1 ILE 51 HG12 ILE 51 -5.779 -7.843 1.863 377 2HG1 ILE 51 HG11 ILE 51 -4.742 -8.650 0.688 378 1HG2 ILE 51 HG22 ILE 51 -7.704 -5.820 -0.379 379 2HG2 ILE 51 HG21 ILE 51 -7.591 -6.568 1.214 380 3HG2 ILE 51 HG23 ILE 51 -6.468 -5.287 0.762 381 1HD1 ILE 51 HD12 ILE 51 -3.586 -6.415 0.338 382 2HD1 ILE 51 HD11 ILE 51 -4.487 -5.820 1.733 383 3HD1 ILE 51 HD13 ILE 51 -3.337 -7.142 1.925 384 HA PRO 52 HA PRO 52 -9.263 -8.214 -4.187 385 1HB PRO 52 HB2 PRO 52 -11.887 -7.922 -3.371 386 2HB PRO 52 HB1 PRO 52 -11.090 -9.482 -3.650 387 1HG PRO 52 HG2 PRO 52 -11.666 -8.095 -1.051 388 2HG PRO 52 HG1 PRO 52 -11.649 -9.830 -1.419 389 1HD PRO 52 HD2 PRO 52 -9.583 -8.536 -0.113 390 2HD PRO 52 HD1 PRO 52 -9.366 -10.015 -1.074 391 H ALA 53 HN ALA 53 -9.710 -6.400 -5.355 392 HA ALA 53 HA ALA 53 -9.008 -3.854 -4.586 393 1HB ALA 53 HB1 ALA 53 -9.932 -4.955 -6.877 394 2HB ALA 53 HB3 ALA 53 -11.300 -3.929 -6.448 395 3HB ALA 53 HB2 ALA 53 -9.696 -3.222 -6.651 396 H TYR 54 HN TYR 54 -12.126 -5.387 -3.973 397 HA TYR 54 HA TYR 54 -13.500 -2.957 -3.158 398 1HB TYR 54 HB2 TYR 54 -14.216 -5.663 -3.556 399 2HB TYR 54 HB1 TYR 54 -14.497 -5.361 -1.842 400 HD1 TYR 54 HD1 TYR 54 -15.478 -2.782 -1.494 401 HD2 TYR 54 HD2 TYR 54 -16.097 -5.344 -4.885 402 HE1 TYR 54 HE1 TYR 54 -17.547 -1.536 -2.056 403 HE2 TYR 54 HE2 TYR 54 -18.168 -4.099 -5.447 404 HH TYR 54 HH TYR 54 -19.894 -2.561 -3.794 405 H CYS 55 HN CYS 55 -12.692 -1.806 -1.510 406 HA CYS 55 HA CYS 55 -12.221 -1.277 0.750 407 1HB CYS 55 HB2 CYS 55 -11.774 -4.217 1.324 408 2HB CYS 55 HB1 CYS 55 -11.997 -2.912 2.481 409 H ARG 56 HN ARG 56 -10.336 -3.136 -1.437 410 HA ARG 56 HA ARG 56 -7.856 -3.513 -0.285 411 1HB ARG 56 HB2 ARG 56 -8.357 -4.119 -2.598 412 2HB ARG 56 HB1 ARG 56 -8.457 -2.423 -3.055 413 1HG ARG 56 HG2 ARG 56 -6.247 -2.476 -3.499 414 2HG ARG 56 HG1 ARG 56 -5.951 -2.712 -1.782 415 1HD ARG 56 HD2 ARG 56 -4.896 -4.577 -2.720 416 2HD ARG 56 HD1 ARG 56 -6.458 -5.208 -2.249 417 HE ARG 56 HE ARG 56 -6.427 -5.907 -4.545 418 1HH1 ARG 56 HH21 ARG 56 -4.447 -3.245 -4.685 419 2HH1 ARG 56 HH22 ARG 56 -5.092 -2.602 -6.157 420 1HH2 ARG 56 HH11 ARG 56 -7.804 -4.754 -6.222 421 2HH2 ARG 56 HH12 ARG 56 -6.997 -3.441 -7.007 422 H CYS 57 HN CYS 57 -8.106 -0.630 -2.391 423 HA CYS 57 HA CYS 57 -6.120 0.966 -1.716 424 1HB CYS 57 HB2 CYS 57 -9.004 1.855 -1.759 425 2HB CYS 57 HB1 CYS 57 -7.634 2.966 -1.827 426 H GLU 58 HN GLU 58 -8.840 0.680 0.658 427 HA GLU 58 HA GLU 58 -8.214 2.551 2.566 428 1HB GLU 58 HB2 GLU 58 -8.985 -0.347 2.965 429 2HB GLU 58 HB1 GLU 58 -8.930 0.824 4.285 430 1HG GLU 58 HG2 GLU 58 -10.540 1.239 1.753 431 2HG GLU 58 HG1 GLU 58 -11.211 0.550 3.232 432 H ALA 59 HN ALA 59 -6.716 -0.730 2.599 433 HA ALA 59 HA ALA 59 -4.950 -0.606 4.665 434 1HB ALA 59 HB1 ALA 59 -4.871 -1.871 2.004 435 2HB ALA 59 HB3 ALA 59 -3.315 -1.759 2.829 436 3HB ALA 59 HB2 ALA 59 -4.665 -2.592 3.599 437 H VAL 60 HN VAL 60 -4.276 0.877 1.507 438 HA VAL 60 HA VAL 60 -1.634 1.793 2.051 439 HB VAL 60 HB VAL 60 -3.717 3.181 0.330 440 1HG1 VAL 60 HG11 VAL 60 -1.645 4.475 0.797 441 2HG1 VAL 60 HG13 VAL 60 -0.689 3.129 0.175 442 3HG1 VAL 60 HG12 VAL 60 -1.770 4.013 -0.900 443 1HG2 VAL 60 HG23 VAL 60 -3.022 0.583 0.026 444 2HG2 VAL 60 HG22 VAL 60 -3.353 1.646 -1.342 445 3HG2 VAL 60 HG21 VAL 60 -1.688 1.341 -0.843 446 H ARG 61 HN ARG 61 -4.758 3.460 2.404 447 HA ARG 61 HA ARG 61 -3.797 5.863 3.599 448 1HB ARG 61 HB2 ARG 61 -6.420 4.452 3.413 449 2HB ARG 61 HB1 ARG 61 -6.259 5.676 4.672 450 1HG ARG 61 HG2 ARG 61 -5.116 6.693 2.223 451 2HG ARG 61 HG1 ARG 61 -6.739 6.087 1.895 452 1HD ARG 61 HD2 ARG 61 -7.150 7.417 4.249 453 2HD ARG 61 HD1 ARG 61 -5.887 8.407 3.516 454 HE ARG 61 HE ARG 61 -7.385 8.854 1.653 455 1HH1 ARG 61 HH11 ARG 61 -9.143 6.832 1.056 456 2HH1 ARG 61 HH12 ARG 61 -10.587 7.127 1.964 457 1HH2 ARG 61 HH21 ARG 61 -9.062 9.302 4.192 458 2HH2 ARG 61 HH22 ARG 61 -10.542 8.525 3.739 459 H ILE 62 HN ILE 62 -4.297 2.656 4.873 460 HA ILE 62 HA ILE 62 -4.323 3.422 7.688 461 HB ILE 62 HB ILE 62 -3.902 0.757 6.287 462 1HG1 ILE 62 HG12 ILE 62 -6.123 1.740 5.901 463 2HG1 ILE 62 HG11 ILE 62 -6.240 0.317 6.931 464 1HG2 ILE 62 HG21 ILE 62 -3.794 1.517 9.130 465 2HG2 ILE 62 HG23 ILE 62 -4.816 0.125 8.772 466 3HG2 ILE 62 HG22 ILE 62 -3.115 0.115 8.307 467 1HD1 ILE 62 HD13 ILE 62 -5.840 2.643 8.583 468 2HD1 ILE 62 HD12 ILE 62 -7.183 2.935 7.484 469 3HD1 ILE 62 HD11 ILE 62 -7.208 1.535 8.554 470 H LEU 63 HN LEU 63 -1.874 2.559 5.325 471 HA LEU 63 HA LEU 63 0.177 2.157 7.344 472 1HB LEU 63 HB2 LEU 63 0.317 1.023 5.141 473 2HB LEU 63 HB1 LEU 63 0.448 2.592 4.350 474 HG LEU 63 HG LEU 63 2.418 2.398 6.472 475 1HD1 LEU 63 HD13 LEU 63 1.997 -0.030 4.875 476 2HD1 LEU 63 HD12 LEU 63 3.641 0.597 4.753 477 3HD1 LEU 63 HD11 LEU 63 2.962 0.205 6.332 478 1HD2 LEU 63 HD23 LEU 63 2.627 2.586 3.448 479 2HD2 LEU 63 HD22 LEU 63 2.553 3.944 4.570 480 3HD2 LEU 63 HD21 LEU 63 3.956 2.875 4.571 481 H MET 64 HN MET 64 -0.761 4.789 5.165 482 HA MET 64 HA MET 64 1.405 6.510 6.091 483 1HB MET 64 HB2 MET 64 0.408 6.734 3.822 484 2HB MET 64 HB1 MET 64 -1.126 7.212 4.544 485 1HG MET 64 HG2 MET 64 1.110 8.790 5.578 486 2HG MET 64 HG1 MET 64 0.940 8.935 3.827 487 1HE MET 64 HE3 MET 64 0.945 11.045 5.596 488 2HE MET 64 HE2 MET 64 -0.009 11.873 4.367 489 3HE MET 64 HE1 MET 64 -0.552 11.874 6.043 490 H ASP 65 HN ASP 65 -2.159 6.549 6.532 491 HA ASP 65 HA ASP 65 -1.927 8.601 8.602 492 1HB ASP 65 HB2 ASP 65 -4.335 7.243 7.344 493 2HB ASP 65 HB1 ASP 65 -4.487 8.145 8.851 494 H GLY 66 HN GLY 66 -2.029 5.120 8.592 495 1HA GLY 66 HA2 GLY 66 -1.578 3.707 10.453 496 2HA GLY 66 HA1 GLY 66 -1.708 5.106 11.514 497 H VAL 67 HN VAL 67 -2.974 2.373 11.641 498 HA VAL 67 HA VAL 67 -5.856 3.204 11.744 499 HB VAL 67 HB VAL 67 -5.522 1.452 10.095 500 1HG1 VAL 67 HG12 VAL 67 -4.207 -0.042 12.376 501 2HG1 VAL 67 HG11 VAL 67 -4.641 -0.781 10.835 502 3HG1 VAL 67 HG13 VAL 67 -3.433 0.503 10.889 503 1HG2 VAL 67 HG23 VAL 67 -7.554 1.371 11.571 504 2HG2 VAL 67 HG22 VAL 67 -7.090 -0.197 10.911 505 3HG2 VAL 67 HG21 VAL 67 -6.705 0.204 12.583 506 H VAL 68 HN VAL 68 -7.126 2.211 13.476 507 HA VAL 68 HA VAL 68 -5.477 1.597 15.885 508 HB VAL 68 HB VAL 68 -8.123 3.071 15.677 509 1HG1 VAL 68 HG13 VAL 68 -6.631 2.146 18.165 510 2HG1 VAL 68 HG12 VAL 68 -8.036 3.210 18.160 511 3HG1 VAL 68 HG11 VAL 68 -8.194 1.539 17.620 512 1HG2 VAL 68 HG22 VAL 68 -5.278 3.765 16.240 513 2HG2 VAL 68 HG21 VAL 68 -6.516 4.702 15.405 514 3HG2 VAL 68 HG23 VAL 68 -6.511 4.621 17.167 515 H THR 69 HN THR 69 -6.435 0.120 17.383 516 HA THR 69 HA THR 69 -8.210 -1.899 16.117 517 HB THR 69 HB THR 69 -7.008 -3.557 17.584 518 HG1 THR 69 HG1 THR 69 -5.355 -2.911 18.755 519 1HG2 THR 69 HG23 THR 69 -6.383 -2.687 15.109 520 2HG2 THR 69 HG22 THR 69 -4.881 -2.287 15.944 521 3HG2 THR 69 HG21 THR 69 -5.471 -3.950 15.936 522 H SER 70 HN SER 70 -9.503 -3.123 17.613 523 HA SER 70 HA SER 70 -11.023 -1.509 19.385 524 1HB SER 70 HB2 SER 70 -11.800 -3.585 18.168 525 2HB SER 70 HB1 SER 70 -10.902 -4.528 19.357 526 HG SER 70 HG SER 70 -13.290 -3.175 19.584 527 H SER 71 HN SER 71 -8.400 -3.724 19.899 528 HA SER 71 HA SER 71 -8.549 -3.967 22.745 529 1HB SER 71 HB2 SER 71 -6.040 -4.469 22.501 530 2HB SER 71 HB1 SER 71 -7.147 -5.516 21.618 531 HG SER 71 HG SER 71 -6.195 -4.868 19.872 532 H GLY 72 HN GLY 72 -7.564 -1.340 20.715 533 1HA GLY 72 HA2 GLY 72 -7.298 0.916 21.635 534 2HA GLY 72 HA1 GLY 72 -6.697 0.176 23.122 535 H GLN 73 HN GLN 73 -5.437 -1.365 20.298 536 HA GLN 73 HA GLN 73 -2.815 -0.004 20.764 537 1HB GLN 73 HB2 GLN 73 -3.524 -2.673 19.508 538 2HB GLN 73 HB1 GLN 73 -1.889 -2.015 19.556 539 1HG GLN 73 HG2 GLN 73 -3.259 -1.982 22.169 540 2HG GLN 73 HG1 GLN 73 -3.008 -3.601 21.518 541 1HE2 GLN 73 HE22 GLN 73 0.169 -1.467 22.879 542 2HE2 GLN 73 HE21 GLN 73 -1.398 -0.815 22.899 543 H HIS 74 HN HIS 74 -1.516 0.551 18.825 544 HA HIS 74 HA HIS 74 -3.237 1.191 16.463 545 1HB HIS 74 HB2 HIS 74 -0.918 2.606 17.748 546 2HB HIS 74 HB1 HIS 74 -1.336 2.908 16.080 547 HD1 HIS 74 HD1 HIS 74 -2.327 5.222 16.271 548 HD2 HIS 74 HD2 HIS 74 -4.027 2.553 18.983 549 HE1 HIS 74 HE1 HIS 74 -4.283 6.429 17.335 550 H GLU 75 HN GLU 75 -2.198 1.012 14.390 551 HA GLU 75 HA GLU 75 0.322 -0.528 14.278 552 1HB GLU 75 HB2 GLU 75 -2.197 -1.342 12.812 553 2HB GLU 75 HB1 GLU 75 -0.623 -2.126 12.688 554 1HG GLU 75 HG2 GLU 75 -2.119 -1.845 15.302 555 2HG GLU 75 HG1 GLU 75 -2.253 -3.261 14.262 556 H GLY 76 HN GLY 76 0.798 -0.879 11.743 557 1HA GLY 76 HA2 GLY 76 1.575 0.248 9.836 558 2HA GLY 76 HA1 GLY 76 -0.040 0.959 9.790 559 H ARG 77 HN ARG 77 0.735 3.005 9.154 560 HA ARG 77 HA ARG 77 1.485 5.201 9.507 561 1HB ARG 77 HB2 ARG 77 0.173 4.442 11.784 562 2HB ARG 77 HB1 ARG 77 1.748 4.903 12.431 563 1HG ARG 77 HG2 ARG 77 1.587 7.082 11.289 564 2HG ARG 77 HG1 ARG 77 0.020 6.622 10.624 565 1HD ARG 77 HD2 ARG 77 -0.472 7.931 12.554 566 2HD ARG 77 HD1 ARG 77 -0.736 6.258 13.042 567 HE ARG 77 HE ARG 77 1.433 6.343 14.222 568 1HH1 ARG 77 HH21 ARG 77 1.892 8.975 12.416 569 2HH1 ARG 77 HH22 ARG 77 2.065 10.123 13.702 570 1HH2 ARG 77 HH11 ARG 77 0.905 7.957 16.148 571 2HH2 ARG 77 HH12 ARG 77 1.507 9.547 15.814 572 H LEU 78 HN LEU 78 3.468 2.756 9.575 573 HA LEU 78 HA LEU 78 5.706 3.733 11.161 574 1HB LEU 78 HB2 LEU 78 5.638 1.611 8.994 575 2HB LEU 78 HB1 LEU 78 6.933 1.864 10.165 576 HG LEU 78 HG LEU 78 4.070 1.252 10.945 577 1HD1 LEU 78 HD12 LEU 78 6.391 -0.523 10.302 578 2HD1 LEU 78 HD11 LEU 78 5.324 -0.986 11.624 579 3HD1 LEU 78 HD13 LEU 78 4.674 -0.777 9.997 580 1HD2 LEU 78 HD23 LEU 78 6.667 1.667 12.381 581 2HD2 LEU 78 HD22 LEU 78 5.047 2.207 12.823 582 3HD2 LEU 78 HD21 LEU 78 5.507 0.519 13.053 583 H LEU 79 HN LEU 79 4.448 4.395 8.009 584 HA LEU 79 HA LEU 79 6.704 5.036 6.473 585 1HB LEU 79 HB2 LEU 79 4.737 5.193 5.273 586 2HB LEU 79 HB1 LEU 79 3.842 5.869 6.621 587 HG LEU 79 HG LEU 79 5.914 7.670 5.489 588 1HD1 LEU 79 HD12 LEU 79 4.921 6.442 3.483 589 2HD1 LEU 79 HD11 LEU 79 3.374 7.160 3.925 590 3HD1 LEU 79 HD13 LEU 79 4.729 8.194 3.478 591 1HD2 LEU 79 HD22 LEU 79 3.820 7.934 7.201 592 2HD2 LEU 79 HD21 LEU 79 4.448 9.273 6.244 593 3HD2 LEU 79 HD23 LEU 79 3.034 8.383 5.689 594 H GLN 80 HN GLN 80 8.392 6.010 7.572 595 HA GLN 80 HA GLN 80 7.965 8.816 8.479 596 1HB GLN 80 HB2 GLN 80 9.427 6.667 10.045 597 2HB GLN 80 HB1 GLN 80 9.420 8.382 10.455 598 1HG GLN 80 HG2 GLN 80 6.763 7.986 10.237 599 2HG GLN 80 HG1 GLN 80 7.253 6.362 10.726 600 1HE2 GLN 80 HE22 GLN 80 7.850 7.299 14.067 601 2HE2 GLN 80 HE21 GLN 80 7.712 6.047 12.930 602 H ASP 81 HN ASP 81 10.181 9.846 8.896 603 HA ASP 81 HA ASP 81 11.705 9.758 6.492 604 1HB ASP 81 HB2 ASP 81 12.407 10.962 9.193 605 2HB ASP 81 HB1 ASP 81 13.268 11.267 7.680 606 H LEU 82 HN LEU 82 12.709 7.921 6.010 607 HA LEU 82 HA LEU 82 14.287 6.339 7.910 608 1HB LEU 82 HB2 LEU 82 13.546 6.160 4.992 609 2HB LEU 82 HB1 LEU 82 14.840 5.153 5.608 610 HG LEU 82 HG LEU 82 12.066 5.269 6.824 611 1HD1 LEU 82 HD13 LEU 82 13.229 3.627 4.620 612 2HD1 LEU 82 HD12 LEU 82 12.193 2.800 5.785 613 3HD1 LEU 82 HD11 LEU 82 11.568 4.167 4.863 614 1HD2 LEU 82 HD22 LEU 82 14.596 3.783 7.405 615 2HD2 LEU 82 HD21 LEU 82 13.378 4.400 8.521 616 3HD2 LEU 82 HD23 LEU 82 13.075 2.917 7.615 617 HA PRO 83 HA PRO 83 18.155 8.287 7.129 618 1HB PRO 83 HB2 PRO 83 19.903 6.308 6.309 619 2HB PRO 83 HB1 PRO 83 19.410 6.585 7.989 620 1HG PRO 83 HG2 PRO 83 18.480 4.479 6.075 621 2HG PRO 83 HG1 PRO 83 18.647 4.401 7.838 622 1HD PRO 83 HD2 PRO 83 16.235 4.722 6.529 623 2HD PRO 83 HD1 PRO 83 16.517 5.227 8.201 624 H GLY 84 HN GLY 84 17.765 9.661 5.480 625 1HA GLY 84 HA2 GLY 84 18.443 10.601 3.409 626 2HA GLY 84 HA1 GLY 84 18.868 8.994 2.816 627 H CYS 85 HN CYS 85 15.846 8.448 4.094 628 HA CYS 85 HA CYS 85 14.513 9.234 1.548 629 1HB CYS 85 HB2 CYS 85 14.340 6.718 3.141 630 2HB CYS 85 HB1 CYS 85 12.928 7.248 2.227 631 HA PRO 86 HA PRO 86 12.275 11.463 4.892 632 1HB PRO 86 HB2 PRO 86 11.364 13.506 3.266 633 2HB PRO 86 HB1 PRO 86 12.905 13.539 4.111 634 1HG PRO 86 HG2 PRO 86 12.356 13.046 1.230 635 2HG PRO 86 HG1 PRO 86 13.803 13.729 1.991 636 1HD PRO 86 HD2 PRO 86 13.576 11.119 1.023 637 2HD PRO 86 HD1 PRO 86 14.808 11.665 2.180 638 H ARG 87 HN ARG 87 9.919 12.012 5.110 639 HA ARG 87 HA ARG 87 8.102 10.098 4.239 640 1HB ARG 87 HB2 ARG 87 7.555 13.045 4.722 641 2HB ARG 87 HB1 ARG 87 6.357 11.763 4.751 642 1HG ARG 87 HG2 ARG 87 8.534 11.050 6.493 643 2HG ARG 87 HG1 ARG 87 7.988 12.679 6.887 644 1HD ARG 87 HD2 ARG 87 5.992 10.464 6.480 645 2HD ARG 87 HD1 ARG 87 6.797 10.660 8.034 646 HE ARG 87 HE ARG 87 4.675 12.331 7.024 647 1HH1 ARG 87 HH11 ARG 87 6.277 11.763 9.789 648 2HH1 ARG 87 HH12 ARG 87 6.479 13.411 10.282 649 1HH2 ARG 87 HH21 ARG 87 5.508 14.723 7.224 650 2HH2 ARG 87 HH22 ARG 87 6.044 15.087 8.830 651 H GLN 88 HN GLN 88 9.283 12.967 2.608 652 HA GLN 88 HA GLN 88 7.330 13.371 0.605 653 1HB GLN 88 HB2 GLN 88 9.438 14.743 1.138 654 2HB GLN 88 HB1 GLN 88 10.284 13.631 0.063 655 1HG GLN 88 HG2 GLN 88 7.873 14.456 -1.251 656 2HG GLN 88 HG1 GLN 88 8.674 15.897 -0.640 657 1HE2 GLN 88 HE22 GLN 88 10.074 15.127 -4.030 658 2HE2 GLN 88 HE21 GLN 88 8.526 15.476 -3.425 659 H VAL 89 HN VAL 89 10.215 11.254 0.406 660 HA VAL 89 HA VAL 89 9.768 10.305 -2.238 661 HB VAL 89 HB VAL 89 11.140 9.009 0.131 662 1HG1 VAL 89 HG13 VAL 89 10.678 8.103 -2.603 663 2HG1 VAL 89 HG12 VAL 89 12.401 8.258 -2.263 664 3HG1 VAL 89 HG11 VAL 89 11.391 7.230 -1.248 665 1HG2 VAL 89 HG23 VAL 89 11.845 11.324 -0.623 666 2HG2 VAL 89 HG22 VAL 89 13.102 10.092 -0.619 667 3HG2 VAL 89 HG21 VAL 89 12.342 10.573 -2.135 668 H GLN 90 HN GLN 90 8.669 9.240 0.909 669 HA GLN 90 HA GLN 90 7.431 6.774 0.084 670 1HB GLN 90 HB2 GLN 90 6.309 8.451 2.325 671 2HB GLN 90 HB1 GLN 90 6.409 6.699 2.207 672 1HG GLN 90 HG2 GLN 90 8.707 8.618 2.708 673 2HG GLN 90 HG1 GLN 90 8.030 7.460 3.842 674 1HE2 GLN 90 HE22 GLN 90 11.103 6.164 1.880 675 2HE2 GLN 90 HE21 GLN 90 10.808 7.727 2.473 676 H ARG 91 HN ARG 91 6.457 10.138 0.013 677 HA ARG 91 HA ARG 91 3.654 9.595 -0.589 678 1HB ARG 91 HB2 ARG 91 5.184 11.862 0.155 679 2HB ARG 91 HB1 ARG 91 4.503 12.231 -1.430 680 1HG ARG 91 HG2 ARG 91 2.923 12.928 0.288 681 2HG ARG 91 HG1 ARG 91 2.255 11.541 -0.570 682 1HD ARG 91 HD2 ARG 91 3.834 10.540 1.595 683 2HD ARG 91 HD1 ARG 91 2.777 11.798 2.233 684 HE ARG 91 HE ARG 91 1.911 9.231 1.070 685 1HH1 ARG 91 HH21 ARG 91 0.920 12.515 1.522 686 2HH1 ARG 91 HH22 ARG 91 -0.690 12.089 1.993 687 1HH2 ARG 91 HH11 ARG 91 -0.126 8.676 1.926 688 2HH2 ARG 91 HH12 ARG 91 -1.281 9.935 2.214 689 H ALA 92 HN ALA 92 6.606 10.033 -2.442 690 HA ALA 92 HA ALA 92 5.292 10.513 -4.993 691 1HB ALA 92 HB1 ALA 92 8.043 10.152 -4.001 692 2HB ALA 92 HB3 ALA 92 7.780 9.524 -5.629 693 3HB ALA 92 HB2 ALA 92 7.435 11.216 -5.270 694 H PHE 93 HN PHE 93 6.803 7.668 -3.478 695 HA PHE 93 HA PHE 93 6.076 5.873 -5.649 696 1HB PHE 93 HB2 PHE 93 8.094 5.450 -4.356 697 2HB PHE 93 HB1 PHE 93 7.163 5.356 -2.865 698 HD1 PHE 93 HD2 PHE 93 5.494 3.478 -2.559 699 HD2 PHE 93 HD1 PHE 93 8.291 3.580 -5.817 700 HE1 PHE 93 HE2 PHE 93 5.133 1.058 -2.945 701 HE2 PHE 93 HE1 PHE 93 7.931 1.159 -6.202 702 HZ PHE 93 HZ PHE 93 6.355 -0.102 -4.766 703 H ALA 94 HN ALA 94 4.584 6.908 -2.664 704 HA ALA 94 HA ALA 94 2.937 4.774 -2.001 705 1HB ALA 94 HB3 ALA 94 2.776 7.713 -1.681 706 2HB ALA 94 HB2 ALA 94 1.248 6.851 -1.509 707 3HB ALA 94 HB1 ALA 94 2.616 6.437 -0.476 708 HA PRO 95 HA PRO 95 -0.476 6.201 -5.080 709 1HB PRO 95 HB2 PRO 95 0.244 7.985 -7.054 710 2HB PRO 95 HB1 PRO 95 -0.486 8.452 -5.508 711 1HG PRO 95 HG2 PRO 95 2.360 8.673 -6.391 712 2HG PRO 95 HG1 PRO 95 1.458 9.680 -5.246 713 1HD PRO 95 HD2 PRO 95 3.294 7.695 -4.534 714 2HD PRO 95 HD1 PRO 95 2.062 8.369 -3.452 715 H LYS 96 HN LYS 96 2.796 5.575 -6.006 716 HA LYS 96 HA LYS 96 2.111 4.419 -8.625 717 1HB LYS 96 HB2 LYS 96 4.722 4.370 -7.084 718 2HB LYS 96 HB1 LYS 96 4.507 3.915 -8.773 719 1HG LYS 96 HG2 LYS 96 3.480 6.601 -8.074 720 2HG LYS 96 HG1 LYS 96 5.227 6.420 -7.940 721 1HD LYS 96 HD2 LYS 96 5.239 6.833 -10.174 722 2HD LYS 96 HD1 LYS 96 4.727 5.152 -10.327 723 1HE LYS 96 HE2 LYS 96 2.320 6.108 -10.004 724 2HE LYS 96 HE1 LYS 96 3.054 7.652 -10.444 725 1HZ LYS 96 HZ1 LYS 96 4.039 6.265 -12.382 726 2HZ LYS 96 HZ3 LYS 96 2.750 5.213 -12.055 727 3HZ LYS 96 HZ2 LYS 96 2.440 6.830 -12.476 728 H LEU 97 HN LEU 97 1.392 3.352 -5.676 729 HA LEU 97 HA LEU 97 2.565 0.713 -5.554 730 1HB LEU 97 HB2 LEU 97 0.845 2.333 -3.944 731 2HB LEU 97 HB1 LEU 97 0.063 0.769 -4.157 732 HG LEU 97 HG LEU 97 2.985 0.799 -3.524 733 1HD1 LEU 97 HD12 LEU 97 0.763 1.355 -1.537 734 2HD1 LEU 97 HD11 LEU 97 2.391 0.849 -1.080 735 3HD1 LEU 97 HD13 LEU 97 2.144 2.391 -1.900 736 1HD2 LEU 97 HD23 LEU 97 1.701 -1.292 -3.994 737 2HD2 LEU 97 HD22 LEU 97 2.384 -1.268 -2.369 738 3HD2 LEU 97 HD21 LEU 97 0.669 -0.934 -2.609 739 H VAL 98 HN VAL 98 -0.910 1.587 -6.273 740 HA VAL 98 HA VAL 98 -1.244 -1.072 -7.498 741 HB VAL 98 HB VAL 98 -3.591 -0.523 -7.596 742 1HG1 VAL 98 HG12 VAL 98 -2.150 -0.816 -5.321 743 2HG1 VAL 98 HG11 VAL 98 -2.936 0.727 -4.994 744 3HG1 VAL 98 HG13 VAL 98 -3.910 -0.699 -5.348 745 1HG2 VAL 98 HG22 VAL 98 -2.645 2.282 -6.955 746 2HG2 VAL 98 HG21 VAL 98 -3.655 1.759 -8.302 747 3HG2 VAL 98 HG23 VAL 98 -4.308 1.774 -6.665 748 H THR 99 HN THR 99 0.431 1.099 -8.768 749 HA THR 99 HA THR 99 -1.077 1.560 -11.268 750 HB THR 99 HB THR 99 0.610 3.205 -11.833 751 HG1 THR 99 HG1 THR 99 2.448 3.429 -10.481 752 1HG2 THR 99 HG21 THR 99 -1.039 3.871 -10.120 753 2HG2 THR 99 HG23 THR 99 0.083 3.347 -8.863 754 3HG2 THR 99 HG22 THR 99 0.505 4.700 -9.916 755 H GLU 100 HN GLU 100 0.426 1.300 -13.355 756 HA GLU 100 HA GLU 100 1.115 -1.446 -13.564 757 1HB GLU 100 HB2 GLU 100 0.874 0.731 -15.286 758 2HB GLU 100 HB1 GLU 100 2.564 0.259 -15.447 759 1HG GLU 100 HG2 GLU 100 2.050 -1.737 -16.430 760 2HG GLU 100 HG1 GLU 100 0.626 -1.983 -15.418 761 H VAL 101 HN VAL 101 2.951 0.808 -11.736 762 HA VAL 101 HA VAL 101 5.544 -0.317 -12.574 763 HB VAL 101 HB VAL 101 4.959 1.721 -10.409 764 1HG1 VAL 101 HG12 VAL 101 7.422 0.638 -11.747 765 2HG1 VAL 101 HG11 VAL 101 7.414 2.305 -11.168 766 3HG1 VAL 101 HG13 VAL 101 7.141 0.978 -10.039 767 1HG2 VAL 101 HG21 VAL 101 4.215 2.298 -12.818 768 2HG2 VAL 101 HG23 VAL 101 5.303 3.432 -12.020 769 3HG2 VAL 101 HG22 VAL 101 5.933 2.297 -13.213 770 H GLU 102 HN GLU 102 3.110 -1.359 -10.498 771 HA GLU 102 HA GLU 102 5.098 -2.953 -8.986 772 1HB GLU 102 HB2 GLU 102 4.725 -0.980 -7.593 773 2HB GLU 102 HB1 GLU 102 3.000 -1.283 -7.607 774 1HG GLU 102 HG2 GLU 102 3.153 -3.048 -6.138 775 2HG GLU 102 HG1 GLU 102 4.735 -3.537 -6.745 776 H CYS 103 HN CYS 103 1.678 -2.680 -7.981 777 HA CYS 103 HA CYS 103 1.162 -5.362 -9.243 778 1HB CYS 103 HB2 CYS 103 0.622 -4.605 -6.352 779 2HB CYS 103 HB1 CYS 103 0.166 -6.128 -7.113 780 H ASN 104 HN ASN 104 0.099 -2.897 -10.290 781 HA ASN 104 HA ASN 104 -2.265 -1.848 -9.377 782 1HB ASN 104 HB2 ASN 104 -1.171 -1.177 -11.475 783 2HB ASN 104 HB1 ASN 104 -1.709 -2.661 -12.238 784 1HD2 ASN 104 HD22 ASN 104 -4.205 -0.161 -13.257 785 2HD2 ASN 104 HD21 ASN 104 -2.592 -0.560 -13.605 786 H LEU 105 HN LEU 105 -2.501 -4.442 -11.833 787 HA LEU 105 HA LEU 105 -4.241 -5.995 -12.190 788 1HB LEU 105 HB2 LEU 105 -3.904 -6.027 -9.185 789 2HB LEU 105 HB1 LEU 105 -5.019 -7.117 -10.010 790 HG LEU 105 HG LEU 105 -2.839 -7.515 -11.536 791 1HD1 LEU 105 HD13 LEU 105 -1.839 -6.692 -8.799 792 2HD1 LEU 105 HD12 LEU 105 -0.886 -7.669 -9.915 793 3HD1 LEU 105 HD11 LEU 105 -1.359 -6.031 -10.361 794 1HD2 LEU 105 HD22 LEU 105 -4.303 -9.042 -9.908 795 2HD2 LEU 105 HD21 LEU 105 -2.752 -9.604 -10.531 796 3HD2 LEU 105 HD23 LEU 105 -2.859 -8.939 -8.901 797 H ALA 106 HN ALA 106 -5.095 -3.161 -12.039 798 HA ALA 106 HA ALA 106 -7.066 -1.917 -12.032 799 1HB ALA 106 HB2 ALA 106 -7.906 -4.083 -13.115 800 2HB ALA 106 HB1 ALA 106 -8.505 -4.533 -11.519 801 3HB ALA 106 HB3 ALA 106 -9.131 -3.092 -12.321 802 H THR 107 HN THR 107 -8.435 -0.904 -10.517 803 HA THR 107 HA THR 107 -8.235 -1.921 -7.697 804 HB THR 107 HB THR 107 -7.833 0.276 -6.904 805 HG1 THR 107 HG1 THR 107 -8.810 1.169 -9.420 806 1HG2 THR 107 HG23 THR 107 -6.147 -0.672 -8.811 807 2HG2 THR 107 HG22 THR 107 -6.563 0.900 -9.492 808 3HG2 THR 107 HG21 THR 107 -5.856 0.797 -7.880 809 H ILE 108 HN ILE 108 -10.044 -0.071 -6.554 810 HA ILE 108 HA ILE 108 -12.604 -1.202 -7.286 811 HB ILE 108 HB ILE 108 -12.120 -0.438 -4.983 812 1HG1 ILE 108 HG12 ILE 108 -14.251 1.467 -5.805 813 2HG1 ILE 108 HG11 ILE 108 -14.479 -0.212 -6.294 814 1HG2 ILE 108 HG21 ILE 108 -10.842 1.656 -5.996 815 2HG2 ILE 108 HG23 ILE 108 -12.422 2.419 -5.828 816 3HG2 ILE 108 HG22 ILE 108 -11.611 1.749 -4.412 817 1HD1 ILE 108 HD13 ILE 108 -13.683 0.442 -3.466 818 2HD1 ILE 108 HD12 ILE 108 -15.373 0.549 -3.958 819 3HD1 ILE 108 HD11 ILE 108 -14.515 -0.986 -4.080 820 H HIS 109 HN HIS 109 -10.844 1.705 -8.125 821 HA HIS 109 HA HIS 109 -13.005 3.153 -9.375 822 1HB HIS 109 HB2 HIS 109 -10.007 3.334 -9.720 823 2HB HIS 109 HB1 HIS 109 -11.171 4.508 -10.331 824 HD1 HIS 109 HD1 HIS 109 -12.509 5.904 -8.543 825 HD2 HIS 109 HD2 HIS 109 -9.451 3.544 -6.977 826 HE1 HIS 109 HE1 HIS 109 -12.075 6.757 -6.202 827 H GLY 110 HN GLY 110 -11.676 0.232 -10.373 828 1HA GLY 110 HA2 GLY 110 -11.716 -0.915 -12.400 829 2HA GLY 110 HA1 GLY 110 -12.879 0.295 -12.945 830 H GLY 111 HN GLY 111 -9.570 0.954 -11.868 831 1HA GLY 111 HA2 GLY 111 -8.425 1.150 -14.516 832 2HA GLY 111 HA1 GLY 111 -8.883 2.739 -13.907 833 HA PRO 112 HA PRO 112 -4.690 1.452 -12.150 834 1HB PRO 112 HB2 PRO 112 -3.114 3.120 -13.694 835 2HB PRO 112 HB1 PRO 112 -3.467 1.441 -14.123 836 1HG PRO 112 HG2 PRO 112 -4.536 3.953 -15.299 837 2HG PRO 112 HG1 PRO 112 -4.388 2.348 -16.033 838 1HD PRO 112 HD2 PRO 112 -6.766 3.506 -15.017 839 2HD PRO 112 HD1 PRO 112 -6.539 1.805 -15.474 840 H PHE 113 HN PHE 113 -5.894 2.732 -10.437 841 HA PHE 113 HA PHE 113 -4.407 4.905 -9.473 842 1HB PHE 113 HB2 PHE 113 -6.039 6.809 -9.795 843 2HB PHE 113 HB1 PHE 113 -5.152 6.334 -11.230 844 HD1 PHE 113 HD2 PHE 113 -7.688 3.856 -10.563 845 HD2 PHE 113 HD1 PHE 113 -7.111 7.801 -12.167 846 HE1 PHE 113 HE2 PHE 113 -9.816 3.667 -11.789 847 HE2 PHE 113 HE1 PHE 113 -9.251 7.605 -13.394 848 HZ PHE 113 HZ PHE 113 -10.611 5.538 -13.201 849 H CYS 114 HN CYS 114 -5.473 6.067 -7.627 850 HA CYS 114 HA CYS 114 -7.978 5.416 -6.507 851 1HB CYS 114 HB2 CYS 114 -6.618 3.100 -6.437 852 2HB CYS 114 HB1 CYS 114 -5.932 3.846 -5.027 853 H LEU 115 HN LEU 115 -8.060 6.039 -4.135 854 HA LEU 115 HA LEU 115 -7.473 7.371 -2.312 855 1HB LEU 115 HB2 LEU 115 -4.973 6.427 -3.200 856 2HB LEU 115 HB1 LEU 115 -4.774 8.171 -3.048 857 HG LEU 115 HG LEU 115 -6.178 7.608 -0.766 858 1HD1 LEU 115 HD13 LEU 115 -4.370 5.250 -1.371 859 2HD1 LEU 115 HD12 LEU 115 -5.006 5.619 0.232 860 3HD1 LEU 115 HD11 LEU 115 -6.109 5.207 -1.081 861 1HD2 LEU 115 HD23 LEU 115 -3.275 7.903 -1.435 862 2HD2 LEU 115 HD22 LEU 115 -4.318 8.957 -0.480 863 3HD2 LEU 115 HD21 LEU 115 -3.704 7.457 0.217 864 H SER 116 HN SER 116 -5.349 8.927 -4.749 865 HA SER 116 HA SER 116 -6.188 11.558 -4.202 866 1HB SER 116 HB2 SER 116 -5.399 11.952 -6.675 867 2HB SER 116 HB1 SER 116 -4.228 11.438 -5.466 868 HG SER 116 HG SER 116 -3.966 10.072 -7.162 869 H LEU 117 HN LEU 117 -6.932 10.442 -7.488 870 HA LEU 117 HA LEU 117 -8.839 10.758 -8.798 871 1HB LEU 117 HB2 LEU 117 -9.627 9.363 -6.341 872 2HB LEU 117 HB1 LEU 117 -10.970 10.200 -7.116 873 HG LEU 117 HG LEU 117 -10.744 7.891 -7.960 874 1HD1 LEU 117 HD12 LEU 117 -11.367 9.993 -9.405 875 2HD1 LEU 117 HD11 LEU 117 -9.838 9.647 -10.212 876 3HD1 LEU 117 HD13 LEU 117 -11.115 8.433 -10.188 877 1HD2 LEU 117 HD22 LEU 117 -7.995 8.850 -8.807 878 2HD2 LEU 117 HD21 LEU 117 -8.362 7.530 -7.698 879 3HD2 LEU 117 HD23 LEU 117 -8.747 7.375 -9.411 880 H LEU 118 HN LEU 118 -10.630 11.684 -5.866 881 HA LEU 118 HA LEU 118 -11.806 13.967 -6.969 882 1HB LEU 118 HB2 LEU 118 -11.305 13.106 -4.137 883 2HB LEU 118 HB1 LEU 118 -11.948 14.708 -4.469 884 HG LEU 118 HG LEU 118 -13.754 13.646 -5.837 885 1HD1 LEU 118 HD13 LEU 118 -12.375 11.135 -4.862 886 2HD1 LEU 118 HD12 LEU 118 -14.040 11.139 -5.442 887 3HD1 LEU 118 HD11 LEU 118 -12.727 11.598 -6.526 888 1HD2 LEU 118 HD22 LEU 118 -14.090 14.178 -3.430 889 2HD2 LEU 118 HD21 LEU 118 -15.018 12.763 -3.929 890 3HD2 LEU 118 HD23 LEU 118 -13.525 12.560 -3.012 891 H GLY 119 HN GLY 119 -8.484 13.747 -5.924 892 1HA GLY 119 HA2 GLY 119 -8.271 16.719 -5.916 893 2HA GLY 119 HA1 GLY 119 -7.118 15.635 -5.133 894 H ALA 120 HN ALA 120 -6.526 17.658 -7.155 895 HA ALA 120 HA ALA 120 -5.268 17.918 -9.117 896 1HB ALA 120 HB2 ALA 120 -3.748 16.410 -7.869 897 2HB ALA 120 HB1 ALA 120 -4.572 15.016 -8.568 898 3HB ALA 120 HB3 ALA 120 -3.670 16.121 -9.606 899 H GLY 121 HN GLY 121 -7.572 17.954 -10.031 900 1HA GLY 121 HA2 GLY 121 -8.678 15.752 -11.472 901 2HA GLY 121 HA1 GLY 121 -9.033 17.450 -11.792 902 H GLU 122 HN GLU 122 -6.012 17.881 -12.167 903 HA GLU 122 HA GLU 122 -5.245 16.342 -14.504 904 1HB GLU 122 HB2 GLU 122 -5.343 18.292 -16.093 905 2HB GLU 122 HB1 GLU 122 -6.929 17.686 -15.617 906 1HG GLU 122 HG2 GLU 122 -5.720 19.844 -13.946 907 2HG GLU 122 HG1 GLU 122 -6.349 20.294 -15.532 No H/Q in entry = 907 Start of MODEL 17 Raw file had 930 H/Q atoms Start of MODEL 17 1 1H SER 1 HT2 SER 1 -23.963 -8.893 -3.604 2 2H SER 1 HT1 SER 1 -23.649 -8.936 -5.274 3 3H SER 1 HT3 SER 1 -25.062 -9.645 -4.659 4 HA SER 1 HA SER 1 -23.892 -11.390 -3.633 5 1HB SER 1 HB2 SER 1 -23.200 -10.701 -6.445 6 2HB SER 1 HB1 SER 1 -22.256 -11.983 -5.693 7 HG SER 1 HG SER 1 -24.045 -13.175 -5.451 8 H VAL 2 HN VAL 2 -22.225 -11.873 -2.318 9 HA VAL 2 HA VAL 2 -20.035 -11.984 -1.459 10 HB VAL 2 HB VAL 2 -19.181 -9.763 -3.324 11 1HG1 VAL 2 HG11 VAL 2 -17.814 -11.906 -1.698 12 2HG1 VAL 2 HG13 VAL 2 -16.998 -11.106 -3.041 13 3HG1 VAL 2 HG12 VAL 2 -17.550 -10.163 -1.657 14 1HG2 VAL 2 HG22 VAL 2 -19.629 -12.690 -3.835 15 2HG2 VAL 2 HG21 VAL 2 -19.918 -11.315 -4.903 16 3HG2 VAL 2 HG23 VAL 2 -18.272 -11.883 -4.622 17 H GLY 3 HN GLY 3 -21.527 -8.813 -2.036 18 1HA GLY 3 HA2 GLY 3 -22.117 -7.333 -0.218 19 2HA GLY 3 HA1 GLY 3 -20.841 -8.067 0.755 20 H THR 4 HN THR 4 -21.252 -5.214 0.200 21 HA THR 4 HA THR 4 -18.730 -4.614 -1.297 22 HB THR 4 HB THR 4 -20.696 -3.699 -2.432 23 HG1 THR 4 HG1 THR 4 -19.124 -2.284 -2.684 24 1HG2 THR 4 HG23 THR 4 -21.353 -2.815 0.339 25 2HG2 THR 4 HG22 THR 4 -21.813 -1.744 -0.984 26 3HG2 THR 4 HG21 THR 4 -22.420 -3.399 -0.936 27 H SER 5 HN SER 5 -19.209 -5.232 1.639 28 HA SER 5 HA SER 5 -18.357 -2.648 2.864 29 1HB SER 5 HB2 SER 5 -20.278 -4.354 3.719 30 2HB SER 5 HB1 SER 5 -18.889 -5.022 4.571 31 HG SER 5 HG SER 5 -18.860 -3.319 5.805 32 H CYS 6 HN CYS 6 -16.971 -3.527 5.041 33 HA CYS 6 HA CYS 6 -14.736 -5.211 3.996 34 1HB CYS 6 HB2 CYS 6 -14.511 -2.529 5.391 35 2HB CYS 6 HB1 CYS 6 -13.151 -3.621 5.139 36 H ILE 7 HN ILE 7 -13.316 -5.990 5.822 37 HA ILE 7 HA ILE 7 -14.675 -6.086 8.463 38 HB ILE 7 HB ILE 7 -13.656 -8.557 7.046 39 1HG1 ILE 7 HG12 ILE 7 -16.532 -7.703 7.516 40 2HG1 ILE 7 HG11 ILE 7 -15.701 -7.557 5.967 41 1HG2 ILE 7 HG21 ILE 7 -13.737 -8.354 9.630 42 2HG2 ILE 7 HG23 ILE 7 -15.489 -8.405 9.437 43 3HG2 ILE 7 HG22 ILE 7 -14.502 -9.761 8.890 44 1HD1 ILE 7 HD13 ILE 7 -15.761 -10.202 7.398 45 2HD1 ILE 7 HD12 ILE 7 -17.139 -9.690 6.423 46 3HD1 ILE 7 HD11 ILE 7 -15.552 -9.876 5.676 47 HA PRO 8 HA PRO 8 -10.234 -5.488 9.252 48 1HB PRO 8 HB2 PRO 8 -10.477 -4.717 11.881 49 2HB PRO 8 HB1 PRO 8 -10.714 -3.621 10.510 50 1HG PRO 8 HG2 PRO 8 -12.753 -4.862 12.298 51 2HG PRO 8 HG1 PRO 8 -12.832 -3.343 11.391 52 1HD PRO 8 HD2 PRO 8 -14.062 -5.774 10.654 53 2HD PRO 8 HD1 PRO 8 -13.838 -4.357 9.607 54 H GLY 9 HN GLY 9 -8.634 -6.830 10.336 55 1HA GLY 9 HA2 GLY 9 -7.783 -8.629 11.561 56 2HA GLY 9 HA1 GLY 9 -9.245 -8.584 12.537 57 H MET 10 HN MET 10 -10.108 -8.844 9.279 58 HA MET 10 HA MET 10 -10.043 -11.812 9.263 59 1HB MET 10 HB2 MET 10 -12.458 -10.023 9.097 60 2HB MET 10 HB1 MET 10 -12.467 -11.620 8.352 61 1HG MET 10 HG2 MET 10 -11.390 -12.006 10.929 62 2HG MET 10 HG1 MET 10 -12.758 -10.915 11.147 63 1HE MET 10 HE2 MET 10 -11.423 -14.101 10.986 64 2HE MET 10 HE1 MET 10 -12.672 -15.282 10.596 65 3HE MET 10 HE3 MET 10 -11.792 -14.459 9.301 66 H ALA 11 HN ALA 11 -8.760 -12.042 7.268 67 HA ALA 11 HA ALA 11 -8.509 -12.094 4.926 68 1HB ALA 11 HB1 ALA 11 -11.081 -11.174 4.979 69 2HB ALA 11 HB3 ALA 11 -10.244 -9.769 4.318 70 3HB ALA 11 HB2 ALA 11 -10.126 -11.331 3.506 71 H ILE 12 HN ILE 12 -9.139 -8.771 6.086 72 HA ILE 12 HA ILE 12 -6.524 -7.919 4.966 73 HB ILE 12 HB ILE 12 -8.803 -6.212 6.008 74 1HG1 ILE 12 HG12 ILE 12 -8.065 -6.640 3.109 75 2HG1 ILE 12 HG11 ILE 12 -9.239 -7.677 3.920 76 1HG2 ILE 12 HG22 ILE 12 -6.174 -5.659 4.647 77 2HG2 ILE 12 HG21 ILE 12 -7.521 -4.534 4.474 78 3HG2 ILE 12 HG23 ILE 12 -6.866 -4.884 6.073 79 1HD1 ILE 12 HD11 ILE 12 -10.180 -5.252 4.671 80 2HD1 ILE 12 HD13 ILE 12 -9.472 -4.829 3.112 81 3HD1 ILE 12 HD12 ILE 12 -10.714 -6.077 3.207 82 HA PRO 13 HA PRO 13 -5.727 -8.232 9.458 83 1HB PRO 13 HB2 PRO 13 -3.025 -8.686 9.281 84 2HB PRO 13 HB1 PRO 13 -4.255 -9.949 9.136 85 1HG PRO 13 HG2 PRO 13 -2.543 -8.770 7.030 86 2HG PRO 13 HG1 PRO 13 -3.431 -10.302 7.018 87 1HD PRO 13 HD2 PRO 13 -4.164 -7.833 5.756 88 2HD PRO 13 HD1 PRO 13 -5.101 -9.349 5.778 89 H HIS 14 HN HIS 14 -4.107 -7.133 10.949 90 HA HIS 14 HA HIS 14 -4.030 -4.308 10.402 91 1HB HIS 14 HB2 HIS 14 -2.734 -5.916 12.640 92 2HB HIS 14 HB1 HIS 14 -3.077 -4.206 12.649 93 HD1 HIS 14 HD1 HIS 14 -5.309 -3.500 13.595 94 HD2 HIS 14 HD2 HIS 14 -5.243 -7.526 12.523 95 HE1 HIS 14 HE1 HIS 14 -7.504 -4.501 14.413 96 H ASN 15 HN ASN 15 -2.085 -3.042 9.978 97 HA ASN 15 HA ASN 15 0.092 -2.592 9.275 98 1HB ASN 15 HB2 ASN 15 0.630 -3.941 11.371 99 2HB ASN 15 HB1 ASN 15 0.845 -5.335 10.311 100 1HD2 ASN 15 HD22 ASN 15 3.557 -2.250 10.111 101 2HD2 ASN 15 HD21 ASN 15 2.012 -1.957 10.750 102 HA PRO 16 HA PRO 16 -0.592 -5.360 5.574 103 1HB PRO 16 HB2 PRO 16 -1.796 -3.513 3.953 104 2HB PRO 16 HB1 PRO 16 -2.699 -4.557 5.064 105 1HG PRO 16 HG2 PRO 16 -2.094 -1.648 5.298 106 2HG PRO 16 HG1 PRO 16 -3.436 -2.573 5.990 107 1HD PRO 16 HD2 PRO 16 -1.095 -1.720 7.372 108 2HD PRO 16 HD1 PRO 16 -2.322 -2.863 7.951 109 H LEU 17 HN LEU 17 0.187 -4.942 3.310 110 HA LEU 17 HA LEU 17 2.020 -4.463 1.937 111 1HB LEU 17 HB2 LEU 17 1.190 -1.656 2.719 112 2HB LEU 17 HB1 LEU 17 2.048 -2.122 1.250 113 HG LEU 17 HG LEU 17 -0.710 -3.118 2.026 114 1HD1 LEU 17 HD12 LEU 17 -0.292 -0.610 1.298 115 2HD1 LEU 17 HD11 LEU 17 -0.153 -1.322 -0.309 116 3HD1 LEU 17 HD13 LEU 17 -1.639 -1.521 0.617 117 1HD2 LEU 17 HD22 LEU 17 0.988 -3.448 -0.469 118 2HD2 LEU 17 HD21 LEU 17 0.482 -4.723 0.639 119 3HD2 LEU 17 HD23 LEU 17 -0.713 -3.901 -0.365 120 H ASP 18 HN ASP 18 3.069 -5.158 4.410 121 HA ASP 18 HA ASP 18 4.941 -3.148 5.393 122 1HB ASP 18 HB2 ASP 18 5.991 -5.077 6.605 123 2HB ASP 18 HB1 ASP 18 4.253 -4.941 6.894 124 H SER 19 HN SER 19 5.103 -5.899 3.201 125 HA SER 19 HA SER 19 7.914 -5.811 2.653 126 1HB SER 19 HB2 SER 19 6.010 -7.568 2.011 127 2HB SER 19 HB1 SER 19 5.972 -6.623 0.525 128 HG SER 19 HG SER 19 8.068 -7.124 0.151 129 H CYS 20 HN CYS 20 5.192 -3.930 1.568 130 HA CYS 20 HA CYS 20 6.486 -2.816 -0.773 131 1HB CYS 20 HB2 CYS 20 4.078 -1.760 0.718 132 2HB CYS 20 HB1 CYS 20 4.521 -1.444 -0.962 133 H ARG 21 HN ARG 21 6.077 -1.831 2.612 134 HA ARG 21 HA ARG 21 7.109 0.821 2.185 135 1HB ARG 21 HB2 ARG 21 5.726 0.400 4.132 136 2HB ARG 21 HB1 ARG 21 6.871 -0.761 4.777 137 1HG ARG 21 HG2 ARG 21 8.585 1.198 4.653 138 2HG ARG 21 HG1 ARG 21 7.159 2.225 4.513 139 1HD ARG 21 HD2 ARG 21 7.138 2.187 6.780 140 2HD ARG 21 HD1 ARG 21 6.479 0.562 6.609 141 HE ARG 21 HE ARG 21 9.433 0.874 6.684 142 1HH1 ARG 21 HH11 ARG 21 7.820 -1.727 6.937 143 2HH1 ARG 21 HH12 ARG 21 7.961 -2.027 8.638 144 1HH2 ARG 21 HH21 ARG 21 9.029 1.185 9.387 145 2HH2 ARG 21 HH22 ARG 21 8.644 -0.379 10.023 146 H TRP 22 HN TRP 22 8.652 -2.291 3.206 147 HA TRP 22 HA TRP 22 11.259 -1.031 3.458 148 1HB TRP 22 HB2 TRP 22 10.425 -3.914 3.390 149 2HB TRP 22 HB1 TRP 22 12.110 -3.446 3.279 150 HD1 TRP 22 HD1 TRP 22 9.761 -4.346 5.784 151 HE1 TRP 22 HE1 TRP 22 10.424 -3.392 8.103 152 HE3 TRP 22 HE3 TRP 22 13.115 -0.985 4.263 153 HZ2 TRP 22 HZ2 TRP 22 12.230 -1.376 9.140 154 HZ3 TRP 22 HZ3 TRP 22 14.340 0.483 5.880 155 HH2 TRP 22 HH2 TRP 22 13.894 0.284 8.318 156 H TYR 23 HN TYR 23 9.421 -2.566 0.904 157 HA TYR 23 HA TYR 23 11.541 -2.951 -0.966 158 1HB TYR 23 HB2 TYR 23 9.345 -4.030 -1.260 159 2HB TYR 23 HB1 TYR 23 8.590 -2.459 -1.503 160 HD1 TYR 23 HD1 TYR 23 11.953 -3.405 -2.835 161 HD2 TYR 23 HD2 TYR 23 7.790 -2.827 -3.738 162 HE1 TYR 23 HE1 TYR 23 12.461 -3.510 -5.248 163 HE2 TYR 23 HE2 TYR 23 8.305 -2.934 -6.159 164 HH TYR 23 HH TYR 23 9.979 -3.729 -7.656 165 H VAL 24 HN VAL 24 9.542 -0.133 -0.121 166 HA VAL 24 HA VAL 24 10.497 1.491 -2.336 167 HB VAL 24 HB VAL 24 9.531 2.469 0.355 168 1HG1 VAL 24 HG12 VAL 24 9.848 3.752 -2.367 169 2HG1 VAL 24 HG11 VAL 24 8.931 4.494 -1.057 170 3HG1 VAL 24 HG13 VAL 24 10.660 4.199 -0.867 171 1HG2 VAL 24 HG21 VAL 24 8.052 0.958 -1.450 172 2HG2 VAL 24 HG23 VAL 24 7.375 2.067 -0.259 173 3HG2 VAL 24 HG22 VAL 24 7.661 2.614 -1.909 174 H SER 25 HN SER 25 11.472 0.862 1.026 175 HA SER 25 HA SER 25 13.513 2.800 1.267 176 1HB SER 25 HB2 SER 25 14.000 0.049 2.339 177 2HB SER 25 HB1 SER 25 14.308 1.609 3.090 178 HG SER 25 HG SER 25 12.200 1.796 3.591 179 H THR 26 HN THR 26 13.617 -0.406 -0.272 180 HA THR 26 HA THR 26 16.465 -0.297 -0.873 181 HB THR 26 HB THR 26 14.235 -2.149 -1.751 182 HG1 THR 26 HG1 THR 26 14.869 -3.273 -0.098 183 1HG2 THR 26 HG22 THR 26 16.900 -1.845 -2.888 184 2HG2 THR 26 HG21 THR 26 16.689 -3.442 -2.167 185 3HG2 THR 26 HG23 THR 26 15.574 -2.883 -3.415 186 H ARG 27 HN ARG 27 13.599 -0.137 -3.041 187 HA ARG 27 HA ARG 27 15.051 0.380 -5.420 188 1HB ARG 27 HB2 ARG 27 12.620 -0.276 -5.273 189 2HB ARG 27 HB1 ARG 27 12.263 1.385 -4.800 190 1HG ARG 27 HG2 ARG 27 11.923 1.346 -7.148 191 2HG ARG 27 HG1 ARG 27 13.510 2.084 -6.942 192 1HD ARG 27 HD2 ARG 27 13.487 -0.875 -7.159 193 2HD ARG 27 HD1 ARG 27 13.045 0.005 -8.623 194 HE ARG 27 HE ARG 27 15.700 -0.127 -7.463 195 1HH1 ARG 27 HH11 ARG 27 14.030 0.799 -10.161 196 2HH1 ARG 27 HH12 ARG 27 14.992 2.191 -10.525 197 1HH2 ARG 27 HH21 ARG 27 16.716 2.121 -7.522 198 2HH2 ARG 27 HH22 ARG 27 16.512 2.937 -9.035 199 H THR 28 HN THR 28 14.185 2.505 -2.796 200 HA THR 28 HA THR 28 14.780 4.915 -4.394 201 HB THR 28 HB THR 28 13.859 6.164 -2.513 202 HG1 THR 28 HG1 THR 28 13.336 5.177 -0.628 203 1HG2 THR 28 HG23 THR 28 12.283 3.686 -3.213 204 2HG2 THR 28 HG22 THR 28 11.603 5.103 -2.415 205 3HG2 THR 28 HG21 THR 28 12.246 5.236 -4.052 206 H CYS 29 HN CYS 29 15.855 3.824 -1.101 207 HA CYS 29 HA CYS 29 18.359 5.367 -1.517 208 1HB CYS 29 HB2 CYS 29 17.594 4.023 1.060 209 2HB CYS 29 HB1 CYS 29 18.610 5.440 0.817 210 H GLY 30 HN GLY 30 17.558 2.413 -2.352 211 1HA GLY 30 HA2 GLY 30 18.697 0.356 -2.606 212 2HA GLY 30 HA1 GLY 30 20.174 1.291 -2.368 213 H VAL 31 HN VAL 31 17.732 1.347 0.123 214 HA VAL 31 HA VAL 31 19.452 -0.374 1.868 215 HB VAL 31 HB VAL 31 17.619 1.890 2.717 216 1HG1 VAL 31 HG13 VAL 31 19.576 0.085 4.142 217 2HG1 VAL 31 HG12 VAL 31 19.134 1.659 4.804 218 3HG1 VAL 31 HG11 VAL 31 17.896 0.428 4.557 219 1HG2 VAL 31 HG23 VAL 31 20.345 1.891 1.638 220 2HG2 VAL 31 HG22 VAL 31 19.260 3.247 1.943 221 3HG2 VAL 31 HG21 VAL 31 20.265 2.614 3.245 222 H GLY 32 HN GLY 32 18.178 -1.489 3.648 223 1HA GLY 32 HA2 GLY 32 15.709 -2.035 4.270 224 2HA GLY 32 HA1 GLY 32 15.599 -2.427 2.550 225 HA PRO 33 HA PRO 33 17.194 -6.172 5.023 226 1HB PRO 33 HB2 PRO 33 15.291 -7.995 4.160 227 2HB PRO 33 HB1 PRO 33 15.193 -7.085 5.678 228 1HG PRO 33 HG2 PRO 33 13.774 -6.592 3.084 229 2HG PRO 33 HG1 PRO 33 13.207 -6.337 4.745 230 1HD PRO 33 HD2 PRO 33 14.050 -4.305 3.123 231 2HD PRO 33 HD1 PRO 33 14.156 -4.243 4.897 232 H ARG 34 HN ARG 34 17.894 -8.340 3.890 233 HA ARG 34 HA ARG 34 18.900 -7.599 1.220 234 1HB ARG 34 HB2 ARG 34 19.718 -9.477 3.375 235 2HB ARG 34 HB1 ARG 34 20.094 -9.969 1.724 236 1HG ARG 34 HG2 ARG 34 21.978 -8.699 2.490 237 2HG ARG 34 HG1 ARG 34 21.087 -7.648 1.387 238 1HD ARG 34 HD2 ARG 34 20.386 -6.247 3.066 239 2HD ARG 34 HD1 ARG 34 20.300 -7.545 4.256 240 HE ARG 34 HE ARG 34 22.589 -7.166 4.779 241 1HH1 ARG 34 HH11 ARG 34 23.971 -7.103 2.267 242 2HH1 ARG 34 HH12 ARG 34 24.350 -5.432 2.018 243 1HH2 ARG 34 HH21 ARG 34 22.044 -4.288 4.340 244 2HH2 ARG 34 HH22 ARG 34 23.260 -3.838 3.190 245 H LEU 35 HN LEU 35 16.946 -7.867 0.077 246 HA LEU 35 HA LEU 35 16.409 -10.679 -0.724 247 1HB LEU 35 HB2 LEU 35 14.652 -9.568 0.952 248 2HB LEU 35 HB1 LEU 35 14.073 -8.816 -0.536 249 HG LEU 35 HG LEU 35 14.097 -11.164 -1.558 250 1HD1 LEU 35 HD11 LEU 35 15.498 -11.919 0.565 251 2HD1 LEU 35 HD13 LEU 35 13.895 -12.170 1.256 252 3HD1 LEU 35 HD12 LEU 35 14.368 -13.030 -0.209 253 1HD2 LEU 35 HD21 LEU 35 12.235 -10.357 0.687 254 2HD2 LEU 35 HD23 LEU 35 11.975 -10.198 -1.051 255 3HD2 LEU 35 HD22 LEU 35 11.947 -11.792 -0.296 256 H ALA 36 HN ALA 36 16.314 -10.849 -2.932 257 HA ALA 36 HA ALA 36 17.148 -8.831 -4.670 258 1HB ALA 36 HB3 ALA 36 15.493 -11.308 -5.126 259 2HB ALA 36 HB2 ALA 36 15.911 -10.237 -6.464 260 3HB ALA 36 HB1 ALA 36 17.185 -11.021 -5.532 261 H THR 37 HN THR 37 15.913 -7.599 -6.343 262 HA THR 37 HA THR 37 13.670 -6.186 -5.182 263 HB THR 37 HB THR 37 14.745 -6.049 -8.012 264 HG1 THR 37 HG1 THR 37 16.399 -5.140 -7.140 265 1HG2 THR 37 HG23 THR 37 12.526 -4.802 -6.784 266 2HG2 THR 37 HG22 THR 37 13.792 -3.577 -6.863 267 3HG2 THR 37 HG21 THR 37 13.261 -4.391 -8.334 268 H GLN 38 HN GLN 38 13.956 -8.803 -7.518 269 HA GLN 38 HA GLN 38 11.280 -8.514 -8.608 270 1HB GLN 38 HB2 GLN 38 13.460 -10.551 -8.778 271 2HB GLN 38 HB1 GLN 38 11.827 -11.053 -9.216 272 1HG GLN 38 HG2 GLN 38 11.718 -9.010 -10.720 273 2HG GLN 38 HG1 GLN 38 13.444 -8.799 -10.426 274 1HE2 GLN 38 HE22 GLN 38 14.319 -11.831 -12.226 275 2HE2 GLN 38 HE21 GLN 38 14.771 -10.944 -10.850 276 H GLU 39 HN GLU 39 12.691 -10.469 -6.011 277 HA GLU 39 HA GLU 39 10.280 -11.988 -5.474 278 1HB GLU 39 HB2 GLU 39 12.821 -11.484 -3.913 279 2HB GLU 39 HB1 GLU 39 11.494 -12.440 -3.251 280 1HG GLU 39 HG2 GLU 39 12.311 -13.171 -6.002 281 2HG GLU 39 HG1 GLU 39 13.519 -13.484 -4.757 282 H MET 40 HN MET 40 11.607 -8.924 -4.399 283 HA MET 40 HA MET 40 9.879 -8.515 -2.123 284 1HB MET 40 HB2 MET 40 12.102 -7.329 -2.882 285 2HB MET 40 HB1 MET 40 11.020 -6.293 -3.795 286 1HG MET 40 HG2 MET 40 10.859 -5.094 -1.888 287 2HG MET 40 HG1 MET 40 9.779 -6.372 -1.341 288 1HE MET 40 HE1 MET 40 10.035 -7.515 0.698 289 2HE MET 40 HE3 MET 40 10.852 -8.699 -0.330 290 3HE MET 40 HE2 MET 40 11.520 -8.286 1.247 291 H LYS 41 HN LYS 41 9.922 -7.115 -5.391 292 HA LYS 41 HA LYS 41 7.413 -5.773 -5.286 293 1HB LYS 41 HB2 LYS 41 9.148 -5.452 -7.074 294 2HB LYS 41 HB1 LYS 41 8.695 -7.022 -7.738 295 1HG LYS 41 HG2 LYS 41 6.429 -5.181 -7.248 296 2HG LYS 41 HG1 LYS 41 7.555 -4.657 -8.501 297 1HD LYS 41 HD2 LYS 41 6.315 -7.421 -8.398 298 2HD LYS 41 HD1 LYS 41 5.677 -6.092 -9.364 299 1HE LYS 41 HE2 LYS 41 7.341 -6.249 -10.914 300 2HE LYS 41 HE1 LYS 41 8.573 -6.602 -9.702 301 1HZ LYS 41 HZ3 LYS 41 6.494 -8.565 -10.470 302 2HZ LYS 41 HZ2 LYS 41 7.986 -8.458 -11.278 303 3HZ LYS 41 HZ1 LYS 41 7.938 -8.844 -9.624 304 H ALA 42 HN ALA 42 8.261 -9.095 -6.029 305 HA ALA 42 HA ALA 42 5.692 -9.937 -7.031 306 1HB ALA 42 HB3 ALA 42 7.829 -11.196 -7.394 307 2HB ALA 42 HB2 ALA 42 7.836 -11.607 -5.680 308 3HB ALA 42 HB1 ALA 42 6.546 -12.204 -6.724 309 H ARG 43 HN ARG 43 7.170 -9.716 -3.848 310 HA ARG 43 HA ARG 43 5.181 -11.194 -2.393 311 1HB ARG 43 HB2 ARG 43 7.497 -9.518 -1.783 312 2HB ARG 43 HB1 ARG 43 6.185 -9.264 -0.633 313 1HG ARG 43 HG2 ARG 43 7.227 -12.001 -1.416 314 2HG ARG 43 HG1 ARG 43 7.768 -11.117 0.012 315 1HD ARG 43 HD2 ARG 43 5.407 -11.010 0.799 316 2HD ARG 43 HD1 ARG 43 4.926 -11.992 -0.583 317 HE ARG 43 HE ARG 43 7.011 -13.137 1.169 318 1HH1 ARG 43 HH11 ARG 43 5.204 -14.639 -0.775 319 2HH1 ARG 43 HH12 ARG 43 4.109 -15.417 0.319 320 1HH2 ARG 43 HH21 ARG 43 4.955 -13.405 3.013 321 2HH2 ARG 43 HH22 ARG 43 3.968 -14.717 2.464 322 H CYS 44 HN CYS 44 5.612 -7.692 -2.967 323 HA CYS 44 HA CYS 44 3.294 -6.805 -1.573 324 1HB CYS 44 HB2 CYS 44 4.924 -5.624 -3.794 325 2HB CYS 44 HB1 CYS 44 3.420 -4.859 -3.257 326 H CYS 45 HN CYS 45 3.721 -7.860 -4.988 327 HA CYS 45 HA CYS 45 1.032 -7.086 -5.773 328 1HB CYS 45 HB2 CYS 45 3.008 -8.976 -7.090 329 2HB CYS 45 HB1 CYS 45 1.494 -8.458 -7.806 330 H ARG 46 HN ARG 46 2.484 -9.930 -4.367 331 HA ARG 46 HA ARG 46 0.278 -11.731 -4.912 332 1HB ARG 46 HB2 ARG 46 2.744 -12.245 -4.172 333 2HB ARG 46 HB1 ARG 46 2.114 -12.043 -2.549 334 1HG ARG 46 HG2 ARG 46 0.526 -13.760 -4.389 335 2HG ARG 46 HG1 ARG 46 2.046 -14.419 -3.788 336 1HD ARG 46 HD2 ARG 46 1.237 -13.673 -1.455 337 2HD ARG 46 HD1 ARG 46 -0.353 -13.505 -2.199 338 HE ARG 46 HE ARG 46 0.068 -15.998 -2.905 339 1HH1 ARG 46 HH21 ARG 46 2.356 -15.136 -0.681 340 2HH1 ARG 46 HH22 ARG 46 1.887 -16.270 0.541 341 1HH2 ARG 46 HH11 ARG 46 -1.055 -17.179 -1.056 342 2HH2 ARG 46 HH12 ARG 46 -0.045 -17.427 0.329 343 H GLN 47 HN GLN 47 1.138 -9.422 -2.390 344 HA GLN 47 HA GLN 47 -0.996 -10.263 -0.563 345 1HB GLN 47 HB2 GLN 47 0.601 -7.682 -0.604 346 2HB GLN 47 HB1 GLN 47 -0.364 -8.292 0.740 347 1HG GLN 47 HG2 GLN 47 1.322 -10.430 0.099 348 2HG GLN 47 HG1 GLN 47 2.351 -9.008 -0.065 349 1HE2 GLN 47 HE22 GLN 47 2.184 -8.163 3.413 350 2HE2 GLN 47 HE21 GLN 47 2.443 -7.517 1.865 351 H LEU 48 HN LEU 48 -0.566 -7.764 -3.011 352 HA LEU 48 HA LEU 48 -2.973 -6.299 -2.489 353 1HB LEU 48 HB2 LEU 48 -0.892 -5.588 -3.837 354 2HB LEU 48 HB1 LEU 48 -1.603 -6.492 -5.172 355 HG LEU 48 HG LEU 48 -3.526 -4.711 -3.838 356 1HD1 LEU 48 HD11 LEU 48 -1.161 -3.532 -3.803 357 2HD1 LEU 48 HD13 LEU 48 -1.483 -3.302 -5.522 358 3HD1 LEU 48 HD12 LEU 48 -2.591 -2.638 -4.322 359 1HD2 LEU 48 HD23 LEU 48 -2.564 -5.070 -6.692 360 2HD2 LEU 48 HD22 LEU 48 -3.971 -5.840 -5.962 361 3HD2 LEU 48 HD21 LEU 48 -3.952 -4.094 -6.215 362 H GLU 49 HN GLU 49 -2.191 -9.046 -4.583 363 HA GLU 49 HA GLU 49 -4.813 -9.082 -5.865 364 1HB GLU 49 HB2 GLU 49 -2.461 -10.098 -6.643 365 2HB GLU 49 HB1 GLU 49 -3.066 -11.519 -5.789 366 1HG GLU 49 HG2 GLU 49 -5.192 -11.323 -7.131 367 2HG GLU 49 HG1 GLU 49 -4.413 -10.053 -8.074 368 H ALA 50 HN ALA 50 -3.202 -10.872 -3.235 369 HA ALA 50 HA ALA 50 -5.258 -12.752 -2.640 370 1HB ALA 50 HB3 ALA 50 -3.300 -11.354 -0.784 371 2HB ALA 50 HB2 ALA 50 -4.298 -12.731 -0.319 372 3HB ALA 50 HB1 ALA 50 -3.067 -12.916 -1.568 373 H ILE 51 HN ILE 51 -4.806 -9.380 -1.835 374 HA ILE 51 HA ILE 51 -7.264 -9.203 -0.221 375 HB ILE 51 HB ILE 51 -5.374 -7.024 -1.184 376 1HG1 ILE 51 HG12 ILE 51 -5.572 -8.142 1.614 377 2HG1 ILE 51 HG11 ILE 51 -4.482 -8.852 0.422 378 1HG2 ILE 51 HG23 ILE 51 -7.856 -6.533 -0.465 379 2HG2 ILE 51 HG22 ILE 51 -7.247 -6.829 1.162 380 3HG2 ILE 51 HG21 ILE 51 -6.556 -5.536 0.182 381 1HD1 ILE 51 HD13 ILE 51 -4.411 -5.887 0.734 382 2HD1 ILE 51 HD12 ILE 51 -3.709 -6.851 2.033 383 3HD1 ILE 51 HD11 ILE 51 -3.097 -7.010 0.387 384 HA PRO 52 HA PRO 52 -9.193 -8.852 -4.323 385 1HB PRO 52 HB2 PRO 52 -11.791 -8.681 -3.382 386 2HB PRO 52 HB1 PRO 52 -10.927 -10.198 -3.695 387 1HG PRO 52 HG2 PRO 52 -11.420 -8.811 -1.075 388 2HG PRO 52 HG1 PRO 52 -11.371 -10.549 -1.432 389 1HD PRO 52 HD2 PRO 52 -9.275 -9.220 -0.243 390 2HD PRO 52 HD1 PRO 52 -9.051 -10.653 -1.274 391 H ALA 53 HN ALA 53 -9.906 -7.087 -5.491 392 HA ALA 53 HA ALA 53 -9.182 -4.528 -4.986 393 1HB ALA 53 HB1 ALA 53 -11.512 -5.602 -6.530 394 2HB ALA 53 HB3 ALA 53 -11.259 -3.860 -6.420 395 3HB ALA 53 HB2 ALA 53 -10.011 -4.889 -7.122 396 H TYR 54 HN TYR 54 -12.127 -5.984 -3.686 397 HA TYR 54 HA TYR 54 -13.242 -3.515 -2.654 398 1HB TYR 54 HB2 TYR 54 -13.747 -6.446 -2.172 399 2HB TYR 54 HB1 TYR 54 -14.496 -5.234 -1.131 400 HD1 TYR 54 HD2 TYR 54 -15.308 -3.063 -2.676 401 HD2 TYR 54 HD1 TYR 54 -15.156 -7.184 -3.877 402 HE1 TYR 54 HE2 TYR 54 -17.016 -2.617 -4.416 403 HE2 TYR 54 HE1 TYR 54 -16.864 -6.738 -5.619 404 HH TYR 54 HH TYR 54 -17.615 -3.808 -6.748 405 H CYS 55 HN CYS 55 -12.484 -2.391 -0.962 406 HA CYS 55 HA CYS 55 -11.551 -1.883 1.133 407 1HB CYS 55 HB2 CYS 55 -10.967 -4.832 1.511 408 2HB CYS 55 HB1 CYS 55 -11.053 -3.581 2.745 409 H ARG 56 HN ARG 56 -9.959 -3.152 -1.525 410 HA ARG 56 HA ARG 56 -7.320 -3.640 -0.606 411 1HB ARG 56 HB2 ARG 56 -8.572 -2.896 -3.193 412 2HB ARG 56 HB1 ARG 56 -6.854 -2.528 -3.041 413 1HG ARG 56 HG2 ARG 56 -7.140 -5.109 -1.949 414 2HG ARG 56 HG1 ARG 56 -8.157 -5.110 -3.387 415 1HD ARG 56 HD2 ARG 56 -5.668 -3.786 -3.996 416 2HD ARG 56 HD1 ARG 56 -5.332 -5.350 -3.261 417 HE ARG 56 HE ARG 56 -6.723 -6.379 -5.062 418 1HH1 ARG 56 HH11 ARG 56 -7.089 -3.093 -5.465 419 2HH1 ARG 56 HH12 ARG 56 -6.646 -3.061 -7.138 420 1HH2 ARG 56 HH21 ARG 56 -5.566 -6.359 -7.184 421 2HH2 ARG 56 HH22 ARG 56 -5.770 -4.912 -8.112 422 H CYS 57 HN CYS 57 -7.647 -0.703 -2.599 423 HA CYS 57 HA CYS 57 -5.716 0.914 -1.713 424 1HB CYS 57 HB2 CYS 57 -8.589 1.695 -2.161 425 2HB CYS 57 HB1 CYS 57 -7.321 2.891 -1.894 426 H GLU 58 HN GLU 58 -8.665 0.560 0.369 427 HA GLU 58 HA GLU 58 -8.309 2.446 2.315 428 1HB GLU 58 HB2 GLU 58 -9.880 0.318 2.172 429 2HB GLU 58 HB1 GLU 58 -8.690 -0.355 3.288 430 1HG GLU 58 HG2 GLU 58 -10.205 0.653 4.755 431 2HG GLU 58 HG1 GLU 58 -8.991 1.917 4.559 432 H ALA 59 HN ALA 59 -6.594 -0.720 2.450 433 HA ALA 59 HA ALA 59 -5.069 -0.527 4.702 434 1HB ALA 59 HB2 ALA 59 -5.027 -2.146 2.524 435 2HB ALA 59 HB1 ALA 59 -3.473 -1.329 2.359 436 3HB ALA 59 HB3 ALA 59 -3.845 -2.226 3.830 437 H VAL 60 HN VAL 60 -4.136 1.018 1.637 438 HA VAL 60 HA VAL 60 -1.657 2.117 2.440 439 HB VAL 60 HB VAL 60 -3.675 3.384 0.560 440 1HG1 VAL 60 HG11 VAL 60 -1.520 4.622 1.405 441 2HG1 VAL 60 HG13 VAL 60 -0.681 3.514 0.319 442 3HG1 VAL 60 HG12 VAL 60 -1.897 4.622 -0.317 443 1HG2 VAL 60 HG23 VAL 60 -1.687 1.140 0.230 444 2HG2 VAL 60 HG22 VAL 60 -3.379 1.190 -0.262 445 3HG2 VAL 60 HG21 VAL 60 -2.176 2.126 -1.148 446 H ARG 61 HN ARG 61 -4.909 3.588 2.546 447 HA ARG 61 HA ARG 61 -4.178 6.041 3.810 448 1HB ARG 61 HB2 ARG 61 -6.664 4.535 3.326 449 2HB ARG 61 HB1 ARG 61 -6.715 5.527 4.782 450 1HG ARG 61 HG2 ARG 61 -5.619 7.327 3.136 451 2HG ARG 61 HG1 ARG 61 -6.466 6.361 1.927 452 1HD ARG 61 HD2 ARG 61 -8.104 7.919 2.531 453 2HD ARG 61 HD1 ARG 61 -8.493 6.554 3.578 454 HE ARG 61 HE ARG 61 -6.844 7.951 5.198 455 1HH1 ARG 61 HH21 ARG 61 -7.242 10.397 3.522 456 2HH1 ARG 61 HH22 ARG 61 -8.608 11.142 4.282 457 1HH2 ARG 61 HH11 ARG 61 -9.542 8.284 6.010 458 2HH2 ARG 61 HH12 ARG 61 -9.912 9.945 5.691 459 H ILE 62 HN ILE 62 -4.588 2.823 5.096 460 HA ILE 62 HA ILE 62 -4.764 3.617 7.901 461 HB ILE 62 HB ILE 62 -4.194 0.945 6.562 462 1HG1 ILE 62 HG12 ILE 62 -6.430 1.895 6.075 463 2HG1 ILE 62 HG11 ILE 62 -6.535 0.432 7.047 464 1HG2 ILE 62 HG21 ILE 62 -4.189 1.744 9.388 465 2HG2 ILE 62 HG23 ILE 62 -5.235 0.367 9.043 466 3HG2 ILE 62 HG22 ILE 62 -3.524 0.302 8.621 467 1HD1 ILE 62 HD11 ILE 62 -6.330 2.847 8.689 468 2HD1 ILE 62 HD13 ILE 62 -7.745 2.859 7.641 469 3HD1 ILE 62 HD12 ILE 62 -7.494 1.531 8.773 470 H LEU 63 HN LEU 63 -2.162 2.780 5.677 471 HA LEU 63 HA LEU 63 -0.224 2.480 7.833 472 1HB LEU 63 HB2 LEU 63 -0.098 1.429 5.458 473 2HB LEU 63 HB1 LEU 63 0.512 3.007 4.959 474 HG LEU 63 HG LEU 63 1.975 2.451 7.269 475 1HD1 LEU 63 HD13 LEU 63 1.034 0.090 7.051 476 2HD1 LEU 63 HD12 LEU 63 1.965 -0.045 5.558 477 3HD1 LEU 63 HD11 LEU 63 2.793 0.211 7.094 478 1HD2 LEU 63 HD22 LEU 63 2.449 2.447 4.330 479 2HD2 LEU 63 HD21 LEU 63 3.239 3.385 5.598 480 3HD2 LEU 63 HD23 LEU 63 3.698 1.704 5.331 481 H MET 64 HN MET 64 -1.139 5.043 5.576 482 HA MET 64 HA MET 64 0.967 6.828 6.516 483 1HB MET 64 HB2 MET 64 -0.191 6.862 4.200 484 2HB MET 64 HB1 MET 64 -1.522 7.692 5.008 485 1HG MET 64 HG2 MET 64 0.912 8.943 5.842 486 2HG MET 64 HG1 MET 64 0.953 8.795 4.085 487 1HE MET 64 HE3 MET 64 -1.007 8.901 2.790 488 2HE MET 64 HE2 MET 64 -2.449 9.883 3.039 489 3HE MET 64 HE1 MET 64 -0.966 10.640 2.461 490 H ASP 65 HN ASP 65 -2.614 6.786 6.866 491 HA ASP 65 HA ASP 65 -2.469 8.873 8.916 492 1HB ASP 65 HB2 ASP 65 -4.823 7.441 7.630 493 2HB ASP 65 HB1 ASP 65 -5.023 8.346 9.131 494 H GLY 66 HN GLY 66 -2.509 5.398 8.904 495 1HA GLY 66 HA2 GLY 66 -2.061 3.992 10.767 496 2HA GLY 66 HA1 GLY 66 -2.195 5.397 11.825 497 H VAL 67 HN VAL 67 -3.480 2.666 11.897 498 HA VAL 67 HA VAL 67 -6.346 3.538 11.979 499 HB VAL 67 HB VAL 67 -5.972 1.781 10.318 500 1HG1 VAL 67 HG13 VAL 67 -4.890 0.178 12.649 501 2HG1 VAL 67 HG12 VAL 67 -5.177 -0.456 11.029 502 3HG1 VAL 67 HG11 VAL 67 -3.947 0.783 11.287 503 1HG2 VAL 67 HG22 VAL 67 -8.053 1.810 11.793 504 2HG2 VAL 67 HG21 VAL 67 -7.685 0.267 11.021 505 3HG2 VAL 67 HG23 VAL 67 -7.297 0.518 12.723 506 H VAL 68 HN VAL 68 -7.634 2.566 13.704 507 HA VAL 68 HA VAL 68 -5.988 1.968 16.116 508 HB VAL 68 HB VAL 68 -8.622 3.450 15.856 509 1HG1 VAL 68 HG12 VAL 68 -7.247 2.472 18.389 510 2HG1 VAL 68 HG11 VAL 68 -8.620 3.579 18.346 511 3HG1 VAL 68 HG13 VAL 68 -8.806 1.917 17.783 512 1HG2 VAL 68 HG22 VAL 68 -5.839 4.112 16.833 513 2HG2 VAL 68 HG21 VAL 68 -6.760 4.903 15.554 514 3HG2 VAL 68 HG23 VAL 68 -7.232 5.113 17.241 515 H THR 69 HN THR 69 -6.937 0.485 17.611 516 HA THR 69 HA THR 69 -8.644 -1.562 16.305 517 HB THR 69 HB THR 69 -7.428 -3.188 17.801 518 HG1 THR 69 HG1 THR 69 -5.835 -2.490 19.015 519 1HG2 THR 69 HG23 THR 69 -6.842 -2.506 15.348 520 2HG2 THR 69 HG22 THR 69 -5.445 -1.723 16.089 521 3HG2 THR 69 HG21 THR 69 -5.683 -3.460 16.275 522 H SER 70 HN SER 70 -9.931 -2.831 17.734 523 HA SER 70 HA SER 70 -11.582 -1.309 19.460 524 1HB SER 70 HB2 SER 70 -12.355 -3.293 18.234 525 2HB SER 70 HB1 SER 70 -11.274 -4.306 19.185 526 HG SER 70 HG SER 70 -13.589 -2.896 19.984 527 H SER 71 HN SER 71 -8.832 -3.324 20.057 528 HA SER 71 HA SER 71 -9.123 -3.604 22.910 529 1HB SER 71 HB2 SER 71 -6.587 -4.087 22.730 530 2HB SER 71 HB1 SER 71 -7.688 -5.177 21.892 531 HG SER 71 HG SER 71 -5.843 -4.347 20.651 532 H GLY 72 HN GLY 72 -8.107 -0.979 20.907 533 1HA GLY 72 HA2 GLY 72 -7.847 1.275 21.837 534 2HA GLY 72 HA1 GLY 72 -7.256 0.530 23.325 535 H GLN 73 HN GLN 73 -5.952 -1.040 20.562 536 HA GLN 73 HA GLN 73 -3.331 0.303 21.042 537 1HB GLN 73 HB2 GLN 73 -3.908 -2.208 19.442 538 2HB GLN 73 HB1 GLN 73 -2.334 -1.636 19.995 539 1HG GLN 73 HG2 GLN 73 -3.038 -1.920 22.337 540 2HG GLN 73 HG1 GLN 73 -4.625 -2.474 21.797 541 1HE2 GLN 73 HE22 GLN 73 -3.039 -5.483 20.270 542 2HE2 GLN 73 HE21 GLN 73 -3.978 -4.190 19.696 543 H HIS 74 HN HIS 74 -2.018 0.905 19.134 544 HA HIS 74 HA HIS 74 -3.717 1.665 16.791 545 1HB HIS 74 HB2 HIS 74 -1.355 2.982 18.118 546 2HB HIS 74 HB1 HIS 74 -1.802 3.368 16.475 547 HD1 HIS 74 HD1 HIS 74 -2.612 5.750 16.972 548 HD2 HIS 74 HD2 HIS 74 -4.570 2.859 19.245 549 HE1 HIS 74 HE1 HIS 74 -4.560 6.917 18.093 550 H GLU 75 HN GLU 75 -2.638 1.518 14.710 551 HA GLU 75 HA GLU 75 -0.165 -0.110 14.618 552 1HB GLU 75 HB2 GLU 75 -2.554 -0.803 12.906 553 2HB GLU 75 HB1 GLU 75 -1.069 -1.726 13.121 554 1HG GLU 75 HG2 GLU 75 -2.964 -1.150 15.406 555 2HG GLU 75 HG1 GLU 75 -3.097 -2.590 14.400 556 H GLY 76 HN GLY 76 0.313 -0.447 12.085 557 1HA GLY 76 HA2 GLY 76 1.172 0.648 10.205 558 2HA GLY 76 HA1 GLY 76 -0.397 1.450 10.147 559 H ARG 77 HN ARG 77 0.338 3.472 9.608 560 HA ARG 77 HA ARG 77 1.236 5.630 9.904 561 1HB ARG 77 HB2 ARG 77 -0.166 5.148 12.073 562 2HB ARG 77 HB1 ARG 77 1.413 5.047 12.851 563 1HG ARG 77 HG2 ARG 77 1.748 7.324 11.422 564 2HG ARG 77 HG1 ARG 77 0.011 7.403 11.714 565 1HD ARG 77 HD2 ARG 77 0.536 8.264 13.739 566 2HD ARG 77 HD1 ARG 77 1.036 6.632 14.182 567 HE ARG 77 HE ARG 77 3.236 7.807 12.872 568 1HH1 ARG 77 HH21 ARG 77 1.652 9.934 14.682 569 2HH1 ARG 77 HH22 ARG 77 2.737 9.970 16.032 570 1HH2 ARG 77 HH11 ARG 77 4.489 7.147 15.037 571 2HH2 ARG 77 HH12 ARG 77 4.344 8.393 16.233 572 H LEU 78 HN LEU 78 3.091 3.149 9.782 573 HA LEU 78 HA LEU 78 5.430 3.969 11.346 574 1HB LEU 78 HB2 LEU 78 4.971 1.744 9.344 575 2HB LEU 78 HB1 LEU 78 6.493 1.999 10.199 576 HG LEU 78 HG LEU 78 4.198 2.014 12.022 577 1HD1 LEU 78 HD12 LEU 78 4.653 -0.365 10.219 578 2HD1 LEU 78 HD11 LEU 78 3.967 -0.546 11.834 579 3HD1 LEU 78 HD13 LEU 78 3.131 0.428 10.624 580 1HD2 LEU 78 HD21 LEU 78 6.786 0.455 11.780 581 2HD2 LEU 78 HD23 LEU 78 6.441 1.801 12.865 582 3HD2 LEU 78 HD22 LEU 78 5.656 0.242 13.117 583 H LEU 79 HN LEU 79 4.150 4.728 8.224 584 HA LEU 79 HA LEU 79 6.561 5.042 6.726 585 1HB LEU 79 HB2 LEU 79 3.896 5.390 6.184 586 2HB LEU 79 HB1 LEU 79 4.448 7.064 6.255 587 HG LEU 79 HG LEU 79 6.414 6.214 4.757 588 1HD1 LEU 79 HD13 LEU 79 5.710 3.804 5.080 589 2HD1 LEU 79 HD12 LEU 79 4.298 4.154 4.083 590 3HD1 LEU 79 HD11 LEU 79 5.918 4.289 3.397 591 1HD2 LEU 79 HD22 LEU 79 3.579 6.815 4.008 592 2HD2 LEU 79 HD21 LEU 79 5.042 7.746 3.689 593 3HD2 LEU 79 HD23 LEU 79 4.685 6.310 2.731 594 H GLN 80 HN GLN 80 8.158 5.965 8.012 595 HA GLN 80 HA GLN 80 7.897 8.886 8.500 596 1HB GLN 80 HB2 GLN 80 8.542 6.767 10.542 597 2HB GLN 80 HB1 GLN 80 9.163 8.407 10.721 598 1HG GLN 80 HG2 GLN 80 6.546 8.919 10.134 599 2HG GLN 80 HG1 GLN 80 6.398 7.396 11.012 600 1HE2 GLN 80 HE22 GLN 80 7.452 10.784 13.008 601 2HE2 GLN 80 HE21 GLN 80 7.250 10.797 11.323 602 H ASP 81 HN ASP 81 10.174 9.567 9.454 603 HA ASP 81 HA ASP 81 12.058 9.464 7.391 604 1HB ASP 81 HB2 ASP 81 12.382 10.044 10.354 605 2HB ASP 81 HB1 ASP 81 13.676 10.281 9.178 606 H LEU 82 HN LEU 82 13.739 8.219 6.911 607 HA LEU 82 HA LEU 82 14.546 5.938 8.647 608 1HB LEU 82 HB2 LEU 82 13.783 5.946 5.731 609 2HB LEU 82 HB1 LEU 82 14.950 4.774 6.304 610 HG LEU 82 HG LEU 82 12.197 5.151 7.516 611 1HD1 LEU 82 HD12 LEU 82 12.214 4.341 5.100 612 2HD1 LEU 82 HD11 LEU 82 13.125 2.938 5.659 613 3HD1 LEU 82 HD13 LEU 82 11.489 3.221 6.253 614 1HD2 LEU 82 HD22 LEU 82 14.284 2.956 7.769 615 2HD2 LEU 82 HD21 LEU 82 13.881 4.135 9.015 616 3HD2 LEU 82 HD23 LEU 82 12.690 2.934 8.520 617 HA PRO 83 HA PRO 83 18.611 7.431 7.817 618 1HB PRO 83 HB2 PRO 83 20.101 5.189 7.216 619 2HB PRO 83 HB1 PRO 83 19.607 5.648 8.855 620 1HG PRO 83 HG2 PRO 83 18.471 3.536 7.064 621 2HG PRO 83 HG1 PRO 83 18.573 3.569 8.833 622 1HD PRO 83 HD2 PRO 83 16.261 4.099 7.388 623 2HD PRO 83 HD1 PRO 83 16.545 4.652 9.048 624 H GLY 84 HN GLY 84 18.399 8.676 5.995 625 1HA GLY 84 HA2 GLY 84 19.221 9.272 3.840 626 2HA GLY 84 HA1 GLY 84 19.431 7.563 3.462 627 H CYS 85 HN CYS 85 16.328 8.158 4.829 628 HA CYS 85 HA CYS 85 15.083 8.657 2.175 629 1HB CYS 85 HB2 CYS 85 13.951 6.481 3.910 630 2HB CYS 85 HB1 CYS 85 13.719 6.749 2.191 631 HA PRO 86 HA PRO 86 12.969 11.063 5.530 632 1HB PRO 86 HB2 PRO 86 12.394 13.245 3.935 633 2HB PRO 86 HB1 PRO 86 13.889 13.066 4.844 634 1HG PRO 86 HG2 PRO 86 13.421 12.740 1.926 635 2HG PRO 86 HG1 PRO 86 14.904 13.207 2.777 636 1HD PRO 86 HD2 PRO 86 14.384 10.675 1.701 637 2HD PRO 86 HD1 PRO 86 15.640 11.034 2.900 638 H ARG 87 HN ARG 87 10.691 11.905 5.632 639 HA ARG 87 HA ARG 87 8.703 10.246 4.613 640 1HB ARG 87 HB2 ARG 87 8.504 13.216 5.175 641 2HB ARG 87 HB1 ARG 87 7.149 12.106 5.071 642 1HG ARG 87 HG2 ARG 87 9.113 11.074 6.915 643 2HG ARG 87 HG1 ARG 87 8.701 12.732 7.346 644 1HD ARG 87 HD2 ARG 87 6.746 10.448 6.942 645 2HD ARG 87 HD1 ARG 87 7.160 11.210 8.476 646 HE ARG 87 HE ARG 87 6.088 13.051 6.459 647 1HH1 ARG 87 HH11 ARG 87 4.377 10.570 7.562 648 2HH1 ARG 87 HH12 ARG 87 3.362 11.437 8.666 649 1HH2 ARG 87 HH21 ARG 87 5.258 14.336 8.549 650 2HH2 ARG 87 HH22 ARG 87 3.859 13.567 9.223 651 H GLN 88 HN GLN 88 10.310 12.963 3.123 652 HA GLN 88 HA GLN 88 8.453 13.629 1.078 653 1HB GLN 88 HB2 GLN 88 10.543 14.887 1.739 654 2HB GLN 88 HB1 GLN 88 11.462 13.715 0.794 655 1HG GLN 88 HG2 GLN 88 10.485 14.398 -1.235 656 2HG GLN 88 HG1 GLN 88 9.128 15.181 -0.424 657 1HE2 GLN 88 HE22 GLN 88 10.774 18.283 -0.420 658 2HE2 GLN 88 HE21 GLN 88 9.313 17.420 -0.477 659 H VAL 89 HN VAL 89 11.172 11.289 0.868 660 HA VAL 89 HA VAL 89 10.721 10.619 -1.876 661 HB VAL 89 HB VAL 89 12.110 9.074 0.317 662 1HG1 VAL 89 HG13 VAL 89 12.294 8.971 -2.709 663 2HG1 VAL 89 HG12 VAL 89 13.436 8.179 -1.624 664 3HG1 VAL 89 HG11 VAL 89 11.746 7.675 -1.646 665 1HG2 VAL 89 HG22 VAL 89 12.914 11.309 -1.503 666 2HG2 VAL 89 HG21 VAL 89 13.067 11.203 0.251 667 3HG2 VAL 89 HG23 VAL 89 14.107 10.225 -0.784 668 H GLN 90 HN GLN 90 9.681 9.086 1.157 669 HA GLN 90 HA GLN 90 8.442 6.838 -0.209 670 1HB GLN 90 HB2 GLN 90 7.406 6.327 1.989 671 2HB GLN 90 HB1 GLN 90 9.149 6.551 2.096 672 1HG GLN 90 HG2 GLN 90 8.324 9.094 2.548 673 2HG GLN 90 HG1 GLN 90 6.952 8.206 3.207 674 1HE2 GLN 90 HE22 GLN 90 10.622 7.380 4.891 675 2HE2 GLN 90 HE21 GLN 90 10.526 7.647 3.218 676 H ARG 91 HN ARG 91 7.428 10.067 0.616 677 HA ARG 91 HA ARG 91 4.567 9.511 0.303 678 1HB ARG 91 HB2 ARG 91 5.796 11.489 1.596 679 2HB ARG 91 HB1 ARG 91 5.620 12.295 0.039 680 1HG ARG 91 HG2 ARG 91 3.625 12.843 1.170 681 2HG ARG 91 HG1 ARG 91 3.156 11.487 0.144 682 1HD ARG 91 HD2 ARG 91 3.668 9.967 2.120 683 2HD ARG 91 HD1 ARG 91 3.796 11.427 3.100 684 HE ARG 91 HE ARG 91 1.301 10.399 1.854 685 1HH1 ARG 91 HH21 ARG 91 0.069 12.623 1.751 686 2HH1 ARG 91 HH22 ARG 91 -0.069 13.354 3.315 687 1HH2 ARG 91 HH11 ARG 91 2.393 11.380 4.747 688 2HH2 ARG 91 HH12 ARG 91 1.245 12.651 5.010 689 H ALA 92 HN ALA 92 7.185 10.706 -1.767 690 HA ALA 92 HA ALA 92 5.415 11.450 -3.963 691 1HB ALA 92 HB2 ALA 92 8.372 11.276 -3.539 692 2HB ALA 92 HB1 ALA 92 7.766 11.302 -5.196 693 3HB ALA 92 HB3 ALA 92 7.397 12.635 -4.102 694 H PHE 93 HN PHE 93 7.546 8.698 -3.266 695 HA PHE 93 HA PHE 93 6.868 7.269 -5.716 696 1HB PHE 93 HB2 PHE 93 9.060 6.930 -4.740 697 2HB PHE 93 HB1 PHE 93 8.351 6.453 -3.202 698 HD1 PHE 93 HD2 PHE 93 7.081 4.288 -3.025 699 HD2 PHE 93 HD1 PHE 93 9.262 5.384 -6.558 700 HE1 PHE 93 HE2 PHE 93 7.008 1.933 -3.801 701 HE2 PHE 93 HE1 PHE 93 9.190 3.030 -7.335 702 HZ PHE 93 HZ PHE 93 8.063 1.303 -5.957 703 H ALA 94 HN ALA 94 5.618 7.395 -2.455 704 HA ALA 94 HA ALA 94 4.417 4.987 -1.989 705 1HB ALA 94 HB1 ALA 94 3.703 7.789 -1.348 706 2HB ALA 94 HB3 ALA 94 2.408 6.606 -1.155 707 3HB ALA 94 HB2 ALA 94 3.924 6.406 -0.277 708 HA PRO 95 HA PRO 95 0.541 5.979 -4.641 709 1HB PRO 95 HB2 PRO 95 0.747 8.000 -6.507 710 2HB PRO 95 HB1 PRO 95 0.083 8.208 -4.878 711 1HG PRO 95 HG2 PRO 95 2.745 9.036 -5.944 712 2HG PRO 95 HG1 PRO 95 1.782 9.756 -4.642 713 1HD PRO 95 HD2 PRO 95 4.005 8.104 -4.275 714 2HD PRO 95 HD1 PRO 95 2.802 8.456 -3.033 715 H LYS 96 HN LYS 96 0.182 6.108 -7.319 716 HA LYS 96 HA LYS 96 0.618 4.976 -9.321 717 1HB LYS 96 HB2 LYS 96 3.458 5.519 -8.411 718 2HB LYS 96 HB1 LYS 96 3.078 4.741 -9.943 719 1HG LYS 96 HG2 LYS 96 1.429 7.078 -9.696 720 2HG LYS 96 HG1 LYS 96 3.094 7.537 -9.341 721 1HD LYS 96 HD2 LYS 96 3.013 7.757 -11.669 722 2HD LYS 96 HD1 LYS 96 3.661 6.128 -11.476 723 1HE LYS 96 HE2 LYS 96 1.935 5.865 -13.069 724 2HE LYS 96 HE1 LYS 96 1.196 5.349 -11.552 725 1HZ LYS 96 HZ1 LYS 96 1.007 8.128 -12.559 726 2HZ LYS 96 HZ3 LYS 96 -0.136 6.938 -12.949 727 3HZ LYS 96 HZ2 LYS 96 0.092 7.396 -11.329 728 H LEU 97 HN LEU 97 0.522 3.617 -6.562 729 HA LEU 97 HA LEU 97 2.170 1.239 -6.715 730 1HB LEU 97 HB2 LEU 97 0.722 2.453 -4.747 731 2HB LEU 97 HB1 LEU 97 -0.322 1.088 -5.133 732 HG LEU 97 HG LEU 97 2.587 0.507 -4.880 733 1HD1 LEU 97 HD12 LEU 97 1.995 2.102 -2.988 734 2HD1 LEU 97 HD11 LEU 97 0.846 0.884 -2.431 735 3HD1 LEU 97 HD13 LEU 97 2.569 0.513 -2.479 736 1HD2 LEU 97 HD22 LEU 97 0.907 -1.238 -5.388 737 2HD2 LEU 97 HD21 LEU 97 1.679 -1.536 -3.831 738 3HD2 LEU 97 HD23 LEU 97 0.056 -0.851 -3.893 739 H VAL 98 HN VAL 98 -1.448 1.474 -7.004 740 HA VAL 98 HA VAL 98 -1.592 -1.193 -8.187 741 HB VAL 98 HB VAL 98 -3.976 -0.802 -8.161 742 1HG1 VAL 98 HG13 VAL 98 -2.480 -1.198 -6.064 743 2HG1 VAL 98 HG12 VAL 98 -2.931 0.456 -5.650 744 3HG1 VAL 98 HG11 VAL 98 -4.177 -0.779 -5.836 745 1HG2 VAL 98 HG21 VAL 98 -3.079 2.023 -7.980 746 2HG2 VAL 98 HG23 VAL 98 -4.545 1.359 -8.699 747 3HG2 VAL 98 HG22 VAL 98 -4.452 1.604 -6.955 748 H THR 99 HN THR 99 -0.143 0.773 -9.807 749 HA THR 99 HA THR 99 -1.906 1.017 -12.177 750 HB THR 99 HB THR 99 -0.485 2.807 -12.964 751 HG1 THR 99 HG1 THR 99 1.484 3.194 -12.132 752 1HG2 THR 99 HG23 THR 99 -2.018 3.171 -10.896 753 2HG2 THR 99 HG22 THR 99 -0.498 3.313 -10.012 754 3HG2 THR 99 HG21 THR 99 -0.857 4.425 -11.334 755 H GLU 100 HN GLU 100 -0.470 0.797 -14.343 756 HA GLU 100 HA GLU 100 0.443 -1.887 -14.433 757 1HB GLU 100 HB2 GLU 100 0.468 0.453 -16.238 758 2HB GLU 100 HB1 GLU 100 1.716 -0.748 -16.572 759 1HG GLU 100 HG2 GLU 100 -1.028 -1.778 -16.034 760 2HG GLU 100 HG1 GLU 100 -0.773 -0.951 -17.571 761 H VAL 101 HN VAL 101 2.160 0.648 -12.841 762 HA VAL 101 HA VAL 101 4.808 -0.379 -13.662 763 HB VAL 101 HB VAL 101 4.137 1.842 -11.714 764 1HG1 VAL 101 HG13 VAL 101 6.636 0.794 -13.005 765 2HG1 VAL 101 HG12 VAL 101 6.521 2.510 -12.614 766 3HG1 VAL 101 HG11 VAL 101 6.374 1.303 -11.337 767 1HG2 VAL 101 HG21 VAL 101 3.277 2.111 -14.126 768 2HG2 VAL 101 HG23 VAL 101 4.332 3.385 -13.518 769 3HG2 VAL 101 HG22 VAL 101 4.974 2.153 -14.603 770 H GLU 102 HN GLU 102 2.535 -1.385 -11.425 771 HA GLU 102 HA GLU 102 4.656 -2.626 -9.781 772 1HB GLU 102 HB2 GLU 102 2.860 -0.496 -8.841 773 2HB GLU 102 HB1 GLU 102 2.909 -1.910 -7.788 774 1HG GLU 102 HG2 GLU 102 5.387 -0.504 -8.818 775 2HG GLU 102 HG1 GLU 102 4.644 -0.155 -7.257 776 H CYS 103 HN CYS 103 1.267 -2.498 -8.708 777 HA CYS 103 HA CYS 103 0.907 -5.338 -9.633 778 1HB CYS 103 HB2 CYS 103 -0.017 -4.349 -6.928 779 2HB CYS 103 HB1 CYS 103 0.135 -6.010 -7.492 780 H ASN 104 HN ASN 104 -0.267 -3.209 -11.099 781 HA ASN 104 HA ASN 104 -2.657 -2.065 -10.431 782 1HB ASN 104 HB2 ASN 104 -1.592 -1.790 -12.594 783 2HB ASN 104 HB1 ASN 104 -1.983 -3.434 -13.037 784 1HD2 ASN 104 HD22 ASN 104 -4.702 -1.769 -14.693 785 2HD2 ASN 104 HD21 ASN 104 -3.131 -2.368 -14.925 786 H LEU 105 HN LEU 105 -3.042 -4.967 -12.437 787 HA LEU 105 HA LEU 105 -4.741 -6.600 -12.400 788 1HB LEU 105 HB2 LEU 105 -4.291 -6.324 -9.416 789 2HB LEU 105 HB1 LEU 105 -5.061 -7.692 -10.219 790 HG LEU 105 HG LEU 105 -2.352 -6.860 -11.162 791 1HD1 LEU 105 HD11 LEU 105 -3.013 -7.972 -8.475 792 2HD1 LEU 105 HD13 LEU 105 -1.632 -8.671 -9.322 793 3HD1 LEU 105 HD12 LEU 105 -1.667 -6.943 -8.965 794 1HD2 LEU 105 HD22 LEU 105 -3.739 -9.527 -10.742 795 2HD2 LEU 105 HD21 LEU 105 -3.608 -8.669 -12.277 796 3HD2 LEU 105 HD23 LEU 105 -2.161 -9.305 -11.495 797 H ALA 106 HN ALA 106 -5.659 -3.653 -12.120 798 HA ALA 106 HA ALA 106 -7.741 -2.586 -12.040 799 1HB ALA 106 HB1 ALA 106 -8.415 -5.111 -12.698 800 2HB ALA 106 HB3 ALA 106 -9.192 -5.018 -11.119 801 3HB ALA 106 HB2 ALA 106 -9.617 -3.862 -12.381 802 H THR 107 HN THR 107 -9.148 -1.647 -10.451 803 HA THR 107 HA THR 107 -8.593 -2.457 -7.612 804 HB THR 107 HB THR 107 -8.203 -0.209 -6.962 805 HG1 THR 107 HG1 THR 107 -9.182 1.435 -7.880 806 1HG2 THR 107 HG23 THR 107 -6.556 -1.183 -8.769 807 2HG2 THR 107 HG22 THR 107 -7.212 0.118 -9.760 808 3HG2 THR 107 HG21 THR 107 -6.410 0.492 -8.236 809 H ILE 108 HN ILE 108 -10.346 -0.589 -6.396 810 HA ILE 108 HA ILE 108 -12.940 -1.809 -6.808 811 HB ILE 108 HB ILE 108 -12.243 -0.809 -4.622 812 1HG1 ILE 108 HG12 ILE 108 -14.591 0.792 -5.608 813 2HG1 ILE 108 HG11 ILE 108 -14.695 -0.967 -5.546 814 1HG2 ILE 108 HG21 ILE 108 -11.050 1.173 -5.643 815 2HG2 ILE 108 HG23 ILE 108 -12.629 1.869 -6.003 816 3HG2 ILE 108 HG22 ILE 108 -12.146 1.599 -4.330 817 1HD1 ILE 108 HD12 ILE 108 -13.629 0.427 -3.134 818 2HD1 ILE 108 HD11 ILE 108 -15.360 0.557 -3.449 819 3HD1 ILE 108 HD13 ILE 108 -14.619 -1.030 -3.245 820 H HIS 109 HN HIS 109 -11.371 1.154 -7.808 821 HA HIS 109 HA HIS 109 -13.557 2.499 -9.071 822 1HB HIS 109 HB2 HIS 109 -10.596 2.630 -9.570 823 2HB HIS 109 HB1 HIS 109 -11.792 3.788 -10.144 824 HD1 HIS 109 HD1 HIS 109 -12.626 5.545 -8.474 825 HD2 HIS 109 HD2 HIS 109 -10.201 2.669 -6.681 826 HE1 HIS 109 HE1 HIS 109 -11.940 6.461 -6.198 827 H GLY 110 HN GLY 110 -12.134 -0.453 -10.032 828 1HA GLY 110 HA2 GLY 110 -12.133 -1.640 -12.040 829 2HA GLY 110 HA1 GLY 110 -13.432 -0.559 -12.554 830 H GLY 111 HN GLY 111 -10.301 0.675 -11.565 831 1HA GLY 111 HA2 GLY 111 -9.501 1.115 -14.392 832 2HA GLY 111 HA1 GLY 111 -9.658 2.513 -13.333 833 HA PRO 112 HA PRO 112 -5.379 0.708 -12.796 834 1HB PRO 112 HB2 PRO 112 -4.005 2.534 -14.375 835 2HB PRO 112 HB1 PRO 112 -4.618 0.988 -14.970 836 1HG PRO 112 HG2 PRO 112 -5.555 3.729 -15.539 837 2HG PRO 112 HG1 PRO 112 -5.956 2.230 -16.391 838 1HD PRO 112 HD2 PRO 112 -7.558 3.665 -14.424 839 2HD PRO 112 HD1 PRO 112 -8.002 2.219 -15.357 840 H PHE 113 HN PHE 113 -6.618 2.170 -10.937 841 HA PHE 113 HA PHE 113 -4.639 3.710 -9.588 842 1HB PHE 113 HB2 PHE 113 -5.279 5.976 -9.996 843 2HB PHE 113 HB1 PHE 113 -5.300 5.267 -11.603 844 HD1 PHE 113 HD2 PHE 113 -7.850 3.728 -11.624 845 HD2 PHE 113 HD1 PHE 113 -6.986 7.597 -9.956 846 HE1 PHE 113 HE2 PHE 113 -10.223 4.338 -11.803 847 HE2 PHE 113 HE1 PHE 113 -9.376 8.192 -10.141 848 HZ PHE 113 HZ PHE 113 -10.982 6.553 -11.045 849 H CYS 114 HN CYS 114 -6.330 5.533 -8.239 850 HA CYS 114 HA CYS 114 -8.680 4.033 -7.415 851 1HB CYS 114 HB2 CYS 114 -6.398 3.775 -5.925 852 2HB CYS 114 HB1 CYS 114 -7.304 4.983 -5.056 853 H LEU 115 HN LEU 115 -9.783 5.894 -8.444 854 HA LEU 115 HA LEU 115 -9.563 8.573 -8.233 855 1HB LEU 115 HB2 LEU 115 -11.485 6.962 -9.169 856 2HB LEU 115 HB1 LEU 115 -12.323 7.597 -7.762 857 HG LEU 115 HG LEU 115 -10.973 9.774 -9.081 858 1HD1 LEU 115 HD12 LEU 115 -12.491 7.882 -10.861 859 2HD1 LEU 115 HD11 LEU 115 -12.534 9.617 -11.177 860 3HD1 LEU 115 HD13 LEU 115 -10.994 8.757 -11.188 861 1HD2 LEU 115 HD22 LEU 115 -13.179 9.526 -7.635 862 2HD2 LEU 115 HD21 LEU 115 -13.044 10.804 -8.842 863 3HD2 LEU 115 HD23 LEU 115 -13.938 9.331 -9.215 864 H SER 116 HN SER 116 -11.269 10.062 -7.028 865 HA SER 116 HA SER 116 -12.023 11.054 -4.996 866 1HB SER 116 HB2 SER 116 -12.445 8.530 -4.323 867 2HB SER 116 HB1 SER 116 -10.956 8.721 -3.402 868 HG SER 116 HG SER 116 -12.641 9.331 -2.091 869 H LEU 117 HN LEU 117 -9.491 11.499 -6.292 870 HA LEU 117 HA LEU 117 -7.415 11.472 -4.209 871 1HB LEU 117 HB2 LEU 117 -6.780 12.691 -6.844 872 2HB LEU 117 HB1 LEU 117 -5.839 11.583 -5.871 873 HG LEU 117 HG LEU 117 -6.311 10.416 -7.859 874 1HD1 LEU 117 HD11 LEU 117 -8.361 9.489 -5.849 875 2HD1 LEU 117 HD13 LEU 117 -7.893 8.602 -7.285 876 3HD1 LEU 117 HD12 LEU 117 -6.715 8.924 -6.026 877 1HD2 LEU 117 HD22 LEU 117 -8.503 12.086 -8.124 878 2HD2 LEU 117 HD21 LEU 117 -8.050 10.783 -9.223 879 3HD2 LEU 117 HD23 LEU 117 -9.227 10.490 -7.945 880 H LEU 118 HN LEU 118 -9.869 13.423 -4.428 881 HA LEU 118 HA LEU 118 -9.194 15.978 -5.210 882 1HB LEU 118 HB2 LEU 118 -10.977 15.008 -2.998 883 2HB LEU 118 HB1 LEU 118 -10.650 16.730 -3.164 884 HG LEU 118 HG LEU 118 -11.156 16.063 -5.761 885 1HD1 LEU 118 HD12 LEU 118 -12.539 14.088 -3.976 886 2HD1 LEU 118 HD11 LEU 118 -13.376 14.677 -5.413 887 3HD1 LEU 118 HD13 LEU 118 -11.830 13.845 -5.573 888 1HD2 LEU 118 HD21 LEU 118 -13.157 16.803 -3.602 889 2HD2 LEU 118 HD23 LEU 118 -12.197 17.923 -4.570 890 3HD2 LEU 118 HD22 LEU 118 -13.456 16.952 -5.333 891 H GLY 119 HN GLY 119 -7.741 14.403 -2.408 892 1HA GLY 119 HA2 GLY 119 -6.155 15.163 -0.868 893 2HA GLY 119 HA1 GLY 119 -5.597 16.177 -2.197 894 H ALA 120 HN ALA 120 -8.410 16.128 0.033 895 HA ALA 120 HA ALA 120 -9.414 17.851 1.273 896 1HB ALA 120 HB1 ALA 120 -6.535 18.264 1.411 897 2HB ALA 120 HB3 ALA 120 -7.413 19.790 1.537 898 3HB ALA 120 HB2 ALA 120 -7.756 18.480 2.666 899 H GLY 121 HN GLY 121 -10.553 18.153 -0.875 900 1HA GLY 121 HA2 GLY 121 -9.893 20.158 -2.766 901 2HA GLY 121 HA1 GLY 121 -11.535 19.610 -2.426 902 H GLU 122 HN GLU 122 -11.107 20.421 0.494 903 HA GLU 122 HA GLU 122 -12.244 23.067 0.299 904 1HB GLU 122 HB2 GLU 122 -11.908 21.089 2.316 905 2HB GLU 122 HB1 GLU 122 -11.141 22.555 2.924 906 1HG GLU 122 HG2 GLU 122 -13.884 22.640 1.668 907 2HG GLU 122 HG1 GLU 122 -13.674 22.247 3.374 No H/Q in entry = 907 Start of MODEL 18 Raw file had 930 H/Q atoms Start of MODEL 18 1 1H SER 1 HT3 SER 1 -25.900 -6.179 1.318 2 2H SER 1 HT2 SER 1 -26.224 -6.620 -0.290 3 3H SER 1 HT1 SER 1 -24.790 -7.134 0.462 4 HA SER 1 HA SER 1 -24.265 -5.342 -1.014 5 1HB SER 1 HB2 SER 1 -26.231 -3.700 0.606 6 2HB SER 1 HB1 SER 1 -25.342 -3.188 -0.826 7 HG SER 1 HG SER 1 -27.447 -5.060 -0.594 8 H VAL 2 HN VAL 2 -22.261 -5.453 -0.055 9 HA VAL 2 HA VAL 2 -21.881 -4.512 2.730 10 HB VAL 2 HB VAL 2 -19.531 -5.286 2.362 11 1HG1 VAL 2 HG11 VAL 2 -21.636 -6.755 2.989 12 2HG1 VAL 2 HG13 VAL 2 -21.343 -7.479 1.408 13 3HG1 VAL 2 HG12 VAL 2 -20.088 -7.529 2.646 14 1HG2 VAL 2 HG21 VAL 2 -19.735 -4.818 -0.184 15 2HG2 VAL 2 HG23 VAL 2 -18.847 -6.257 0.318 16 3HG2 VAL 2 HG22 VAL 2 -20.504 -6.402 -0.269 17 H GLY 3 HN GLY 3 -22.612 -2.514 0.605 18 1HA GLY 3 HA2 GLY 3 -20.131 -0.975 0.169 19 2HA GLY 3 HA1 GLY 3 -21.735 -0.554 -0.433 20 H THR 4 HN THR 4 -19.614 -0.468 2.371 21 HA THR 4 HA THR 4 -20.687 1.998 3.357 22 HB THR 4 HB THR 4 -22.622 0.676 4.000 23 HG1 THR 4 HG1 THR 4 -22.593 1.719 5.798 24 1HG2 THR 4 HG21 THR 4 -20.547 -1.283 4.689 25 2HG2 THR 4 HG23 THR 4 -21.787 -1.113 5.932 26 3HG2 THR 4 HG22 THR 4 -22.244 -1.535 4.283 27 H SER 5 HN SER 5 -18.268 2.129 3.211 28 HA SER 5 HA SER 5 -16.159 2.233 4.225 29 1HB SER 5 HB2 SER 5 -17.940 2.691 6.241 30 2HB SER 5 HB1 SER 5 -17.123 1.257 6.854 31 HG SER 5 HG SER 5 -15.677 2.678 7.443 32 H CYS 6 HN CYS 6 -14.633 0.773 5.673 33 HA CYS 6 HA CYS 6 -15.120 -2.080 4.906 34 1HB CYS 6 HB2 CYS 6 -12.415 -0.793 5.349 35 2HB CYS 6 HB1 CYS 6 -12.760 -2.347 4.591 36 H ILE 7 HN ILE 7 -14.113 -3.673 6.413 37 HA ILE 7 HA ILE 7 -14.051 -2.648 9.219 38 HB ILE 7 HB ILE 7 -14.979 -4.899 9.864 39 1HG1 ILE 7 HG12 ILE 7 -15.388 -5.139 6.861 40 2HG1 ILE 7 HG11 ILE 7 -14.240 -6.087 7.804 41 1HG2 ILE 7 HG21 ILE 7 -16.311 -2.707 9.289 42 2HG2 ILE 7 HG23 ILE 7 -16.837 -3.620 7.875 43 3HG2 ILE 7 HG22 ILE 7 -17.189 -4.222 9.495 44 1HD1 ILE 7 HD12 ILE 7 -16.120 -6.986 9.156 45 2HD1 ILE 7 HD11 ILE 7 -17.253 -6.078 8.154 46 3HD1 ILE 7 HD13 ILE 7 -16.295 -7.378 7.445 47 HA PRO 8 HA PRO 8 -10.031 -4.630 9.153 48 1HB PRO 8 HB2 PRO 8 -9.369 -4.245 11.790 49 2HB PRO 8 HB1 PRO 8 -9.288 -2.966 10.566 50 1HG PRO 8 HG2 PRO 8 -11.269 -3.343 12.753 51 2HG PRO 8 HG1 PRO 8 -10.799 -1.858 11.909 52 1HD PRO 8 HD2 PRO 8 -13.152 -3.395 11.457 53 2HD PRO 8 HD1 PRO 8 -12.562 -2.043 10.468 54 H GLY 9 HN GLY 9 -8.955 -6.550 10.156 55 1HA GLY 9 HA2 GLY 9 -8.896 -8.665 11.160 56 2HA GLY 9 HA1 GLY 9 -10.257 -8.173 12.159 57 H MET 10 HN MET 10 -11.086 -7.679 8.929 58 HA MET 10 HA MET 10 -12.133 -10.433 8.531 59 1HB MET 10 HB2 MET 10 -13.721 -7.864 8.603 60 2HB MET 10 HB1 MET 10 -14.308 -9.297 7.759 61 1HG MET 10 HG2 MET 10 -15.200 -9.805 9.803 62 2HG MET 10 HG1 MET 10 -13.575 -10.408 10.128 63 1HE MET 10 HE1 MET 10 -14.461 -10.220 12.553 64 2HE MET 10 HE3 MET 10 -14.688 -8.712 13.452 65 3HE MET 10 HE2 MET 10 -15.895 -9.235 12.280 66 H ALA 11 HN ALA 11 -10.780 -10.782 6.584 67 HA ALA 11 HA ALA 11 -10.463 -10.699 4.251 68 1HB ALA 11 HB3 ALA 11 -12.723 -9.281 4.260 69 2HB ALA 11 HB2 ALA 11 -11.609 -7.945 3.970 70 3HB ALA 11 HB1 ALA 11 -11.667 -9.304 2.848 71 H ILE 12 HN ILE 12 -10.231 -7.454 5.728 72 HA ILE 12 HA ILE 12 -7.484 -7.157 4.661 73 HB ILE 12 HB ILE 12 -9.075 -5.054 6.144 74 1HG1 ILE 12 HG12 ILE 12 -9.053 -5.527 3.145 75 2HG1 ILE 12 HG11 ILE 12 -10.408 -5.906 4.207 76 1HG2 ILE 12 HG23 ILE 12 -6.514 -5.198 4.711 77 2HG2 ILE 12 HG22 ILE 12 -7.526 -3.852 4.187 78 3HG2 ILE 12 HG21 ILE 12 -7.082 -4.011 5.885 79 1HD1 ILE 12 HD13 ILE 12 -9.872 -3.303 4.905 80 2HD1 ILE 12 HD12 ILE 12 -9.503 -3.295 3.180 81 3HD1 ILE 12 HD11 ILE 12 -11.100 -3.794 3.737 82 HA PRO 13 HA PRO 13 -6.706 -8.310 9.011 83 1HB PRO 13 HB2 PRO 13 -4.170 -9.296 8.664 84 2HB PRO 13 HB1 PRO 13 -5.647 -10.237 8.404 85 1HG PRO 13 HG2 PRO 13 -3.755 -9.168 6.397 86 2HG PRO 13 HG1 PRO 13 -4.958 -10.455 6.224 87 1HD PRO 13 HD2 PRO 13 -5.153 -7.736 5.340 88 2HD PRO 13 HD1 PRO 13 -6.401 -8.998 5.202 89 H HIS 14 HN HIS 14 -4.735 -7.822 10.526 90 HA HIS 14 HA HIS 14 -4.163 -4.990 10.257 91 1HB HIS 14 HB2 HIS 14 -3.393 -6.980 12.424 92 2HB HIS 14 HB1 HIS 14 -3.377 -5.238 12.548 93 HD1 HIS 14 HD1 HIS 14 -5.540 -4.093 13.239 94 HD2 HIS 14 HD2 HIS 14 -6.109 -8.063 12.110 95 HE1 HIS 14 HE1 HIS 14 -7.951 -4.661 13.811 96 H ASN 15 HN ASN 15 -2.058 -4.077 10.000 97 HA ASN 15 HA ASN 15 0.209 -3.896 9.565 98 1HB ASN 15 HB2 ASN 15 0.325 -5.456 11.566 99 2HB ASN 15 HB1 ASN 15 0.484 -6.782 10.415 100 1HD2 ASN 15 HD22 ASN 15 3.567 -4.077 10.757 101 2HD2 ASN 15 HD21 ASN 15 2.006 -3.620 11.241 102 HA PRO 16 HA PRO 16 -0.161 -6.510 5.646 103 1HB PRO 16 HB2 PRO 16 -1.625 -4.885 4.009 104 2HB PRO 16 HB1 PRO 16 -2.365 -6.111 5.052 105 1HG PRO 16 HG2 PRO 16 -2.352 -3.151 5.362 106 2HG PRO 16 HG1 PRO 16 -3.504 -4.340 5.990 107 1HD PRO 16 HD2 PRO 16 -1.403 -3.069 7.448 108 2HD PRO 16 HD1 PRO 16 -2.442 -4.403 7.986 109 H LEU 17 HN LEU 17 0.529 -5.770 3.395 110 HA LEU 17 HA LEU 17 2.182 -4.832 2.052 111 1HB LEU 17 HB2 LEU 17 0.512 -2.637 3.141 112 2HB LEU 17 HB1 LEU 17 2.008 -2.153 2.340 113 HG LEU 17 HG LEU 17 1.087 -4.029 0.586 114 1HD1 LEU 17 HD13 LEU 17 -1.006 -4.223 2.000 115 2HD1 LEU 17 HD12 LEU 17 -1.378 -2.557 1.551 116 3HD1 LEU 17 HD11 LEU 17 -1.293 -3.808 0.310 117 1HD2 LEU 17 HD23 LEU 17 1.680 -1.402 0.490 118 2HD2 LEU 17 HD22 LEU 17 0.903 -2.244 -0.851 119 3HD2 LEU 17 HD21 LEU 17 -0.069 -1.300 0.279 120 H ASP 18 HN ASP 18 3.399 -5.743 4.402 121 HA ASP 18 HA ASP 18 5.119 -3.638 5.511 122 1HB ASP 18 HB2 ASP 18 6.336 -5.558 6.583 123 2HB ASP 18 HB1 ASP 18 4.604 -5.552 6.920 124 H SER 19 HN SER 19 5.452 -6.268 3.192 125 HA SER 19 HA SER 19 8.205 -5.928 2.530 126 1HB SER 19 HB2 SER 19 6.389 -7.769 1.848 127 2HB SER 19 HB1 SER 19 6.249 -6.744 0.420 128 HG SER 19 HG SER 19 8.381 -7.064 -0.010 129 H CYS 20 HN CYS 20 5.332 -4.153 1.690 130 HA CYS 20 HA CYS 20 6.389 -2.838 -0.650 131 1HB CYS 20 HB2 CYS 20 4.108 -2.003 1.141 132 2HB CYS 20 HB1 CYS 20 4.400 -1.466 -0.514 133 H ARG 21 HN ARG 21 6.325 -2.128 2.812 134 HA ARG 21 HA ARG 21 7.300 0.572 2.509 135 1HB ARG 21 HB2 ARG 21 6.152 0.156 4.540 136 2HB ARG 21 HB1 ARG 21 7.103 -1.266 4.919 137 1HG ARG 21 HG2 ARG 21 8.619 1.273 4.586 138 2HG ARG 21 HG1 ARG 21 7.578 1.165 6.006 139 1HD ARG 21 HD2 ARG 21 8.654 -0.980 6.619 140 2HD ARG 21 HD1 ARG 21 9.714 -0.837 5.217 141 HE ARG 21 HE ARG 21 10.614 1.261 6.301 142 1HH1 ARG 21 HH21 ARG 21 8.249 0.047 8.325 143 2HH1 ARG 21 HH22 ARG 21 9.233 -0.005 9.750 144 1HH2 ARG 21 HH11 ARG 21 12.179 0.703 8.064 145 2HH2 ARG 21 HH12 ARG 21 11.456 0.364 9.600 146 H TRP 22 HN TRP 22 8.908 -2.603 3.152 147 HA TRP 22 HA TRP 22 11.539 -1.382 3.266 148 1HB TRP 22 HB2 TRP 22 10.674 -4.244 3.025 149 2HB TRP 22 HB1 TRP 22 12.345 -3.786 2.768 150 HD1 TRP 22 HD1 TRP 22 10.246 -4.852 5.438 151 HE1 TRP 22 HE1 TRP 22 11.176 -4.109 7.742 152 HE3 TRP 22 HE3 TRP 22 13.542 -1.484 3.837 153 HZ2 TRP 22 HZ2 TRP 22 13.159 -2.229 8.730 154 HZ3 TRP 22 HZ3 TRP 22 14.985 -0.189 5.414 155 HH2 TRP 22 HH2 TRP 22 14.791 -0.567 7.865 156 H TYR 23 HN TYR 23 9.444 -2.502 0.732 157 HA TYR 23 HA TYR 23 11.450 -2.746 -1.309 158 1HB TYR 23 HB2 TYR 23 9.187 -3.797 -1.409 159 2HB TYR 23 HB1 TYR 23 8.500 -2.208 -1.714 160 HD1 TYR 23 HD2 TYR 23 11.720 -3.699 -2.995 161 HD2 TYR 23 HD1 TYR 23 7.775 -2.280 -3.948 162 HE1 TYR 23 HE2 TYR 23 12.225 -3.913 -5.405 163 HE2 TYR 23 HE1 TYR 23 8.288 -2.496 -6.361 164 HH TYR 23 HH TYR 23 10.240 -4.190 -7.681 165 H VAL 24 HN VAL 24 9.442 -0.021 -0.138 166 HA VAL 24 HA VAL 24 10.289 1.742 -2.298 167 HB VAL 24 HB VAL 24 9.367 2.522 0.483 168 1HG1 VAL 24 HG12 VAL 24 9.958 4.046 -2.049 169 2HG1 VAL 24 HG11 VAL 24 8.766 4.666 -0.908 170 3HG1 VAL 24 HG13 VAL 24 10.437 4.422 -0.395 171 1HG2 VAL 24 HG21 VAL 24 7.932 1.815 -2.046 172 2HG2 VAL 24 HG23 VAL 24 7.459 1.512 -0.375 173 3HG2 VAL 24 HG22 VAL 24 7.275 3.125 -1.065 174 H SER 25 HN SER 25 11.440 0.913 0.965 175 HA SER 25 HA SER 25 13.497 2.852 1.193 176 1HB SER 25 HB2 SER 25 13.983 0.054 2.146 177 2HB SER 25 HB1 SER 25 14.370 1.583 2.930 178 HG SER 25 HG SER 25 12.500 0.353 3.769 179 H THR 26 HN THR 26 13.501 -0.297 -0.469 180 HA THR 26 HA THR 26 16.327 -0.206 -1.153 181 HB THR 26 HB THR 26 14.080 -1.960 -2.190 182 HG1 THR 26 HG1 THR 26 14.658 -3.294 -0.613 183 1HG2 THR 26 HG23 THR 26 16.873 -1.719 -3.011 184 2HG2 THR 26 HG22 THR 26 16.490 -3.338 -2.429 185 3HG2 THR 26 HG21 THR 26 15.563 -2.637 -3.754 186 H ARG 27 HN ARG 27 13.386 0.183 -3.175 187 HA ARG 27 HA ARG 27 14.771 0.767 -5.593 188 1HB ARG 27 HB2 ARG 27 12.311 0.167 -5.359 189 2HB ARG 27 HB1 ARG 27 12.037 1.831 -4.846 190 1HG ARG 27 HG2 ARG 27 11.744 2.193 -7.080 191 2HG ARG 27 HG1 ARG 27 13.506 2.259 -7.092 192 1HD ARG 27 HD2 ARG 27 13.626 -0.113 -7.673 193 2HD ARG 27 HD1 ARG 27 11.871 -0.250 -7.571 194 HE ARG 27 HE ARG 27 13.253 1.445 -9.614 195 1HH1 ARG 27 HH21 ARG 27 10.864 2.297 -10.274 196 2HH1 ARG 27 HH22 ARG 27 9.965 1.014 -11.013 197 1HH2 ARG 27 HH11 ARG 27 12.043 -1.490 -9.818 198 2HH2 ARG 27 HH12 ARG 27 10.632 -1.128 -10.754 199 H THR 28 HN THR 28 14.040 2.736 -2.821 200 HA THR 28 HA THR 28 14.584 5.238 -4.265 201 HB THR 28 HB THR 28 13.839 6.341 -2.205 202 HG1 THR 28 HG1 THR 28 13.705 5.317 -0.371 203 1HG2 THR 28 HG22 THR 28 12.193 3.999 -3.142 204 2HG2 THR 28 HG21 THR 28 11.571 5.228 -2.041 205 3HG2 THR 28 HG23 THR 28 12.083 5.677 -3.668 206 H CYS 29 HN CYS 29 15.903 3.979 -1.106 207 HA CYS 29 HA CYS 29 18.414 5.446 -1.739 208 1HB CYS 29 HB2 CYS 29 17.846 4.123 0.899 209 2HB CYS 29 HB1 CYS 29 18.889 5.499 0.558 210 H GLY 30 HN GLY 30 17.419 2.531 -2.493 211 1HA GLY 30 HA2 GLY 30 18.485 0.459 -2.906 212 2HA GLY 30 HA1 GLY 30 20.006 1.333 -2.721 213 H VAL 31 HN VAL 31 17.671 1.359 -0.114 214 HA VAL 31 HA VAL 31 19.509 -0.339 1.527 215 HB VAL 31 HB VAL 31 17.453 1.703 2.432 216 1HG1 VAL 31 HG11 VAL 31 19.549 0.082 3.905 217 2HG1 VAL 31 HG13 VAL 31 18.723 1.473 4.608 218 3HG1 VAL 31 HG12 VAL 31 17.803 0.041 4.150 219 1HG2 VAL 31 HG23 VAL 31 19.791 2.278 1.182 220 2HG2 VAL 31 HG22 VAL 31 19.102 3.292 2.448 221 3HG2 VAL 31 HG21 VAL 31 20.365 2.125 2.841 222 H GLY 32 HN GLY 32 18.380 -1.705 3.213 223 1HA GLY 32 HA2 GLY 32 16.062 -2.607 3.853 224 2HA GLY 32 HA1 GLY 32 15.846 -2.767 2.106 225 HA PRO 33 HA PRO 33 17.937 -6.656 3.903 226 1HB PRO 33 HB2 PRO 33 16.070 -8.504 3.024 227 2HB PRO 33 HB1 PRO 33 16.083 -7.790 4.646 228 1HG PRO 33 HG2 PRO 33 14.358 -7.104 2.292 229 2HG PRO 33 HG1 PRO 33 13.954 -7.102 4.018 230 1HD PRO 33 HD2 PRO 33 14.473 -4.821 2.606 231 2HD PRO 33 HD1 PRO 33 14.776 -4.973 4.350 232 H ARG 34 HN ARG 34 18.652 -8.599 2.438 233 HA ARG 34 HA ARG 34 19.236 -7.487 -0.234 234 1HB ARG 34 HB2 ARG 34 20.490 -9.498 1.564 235 2HB ARG 34 HB1 ARG 34 20.662 -9.783 -0.168 236 1HG ARG 34 HG2 ARG 34 21.151 -7.009 0.819 237 2HG ARG 34 HG1 ARG 34 22.378 -8.225 1.177 238 1HD ARG 34 HD2 ARG 34 22.521 -8.801 -1.212 239 2HD ARG 34 HD1 ARG 34 21.273 -7.611 -1.582 240 HE ARG 34 HE ARG 34 24.059 -6.997 -0.765 241 1HH1 ARG 34 HH21 ARG 34 23.034 -4.799 0.468 242 2HH1 ARG 34 HH22 ARG 34 22.532 -3.690 -0.765 243 1HH2 ARG 34 HH11 ARG 34 22.469 -6.088 -3.267 244 2HH2 ARG 34 HH12 ARG 34 22.213 -4.420 -2.879 245 H LEU 35 HN LEU 35 17.159 -7.807 -1.124 246 HA LEU 35 HA LEU 35 16.646 -10.605 -2.027 247 1HB LEU 35 HB2 LEU 35 14.843 -8.744 -0.600 248 2HB LEU 35 HB1 LEU 35 14.140 -9.464 -2.046 249 HG LEU 35 HG LEU 35 13.676 -10.851 -0.065 250 1HD1 LEU 35 HD12 LEU 35 14.467 -11.750 -2.473 251 2HD1 LEU 35 HD11 LEU 35 15.727 -12.479 -1.478 252 3HD1 LEU 35 HD13 LEU 35 14.030 -12.838 -1.155 253 1HD2 LEU 35 HD23 LEU 35 16.140 -10.083 0.818 254 2HD2 LEU 35 HD22 LEU 35 15.253 -11.463 1.465 255 3HD2 LEU 35 HD21 LEU 35 16.495 -11.710 0.237 256 H ALA 36 HN ALA 36 16.023 -10.754 -4.214 257 HA ALA 36 HA ALA 36 16.840 -8.642 -5.962 258 1HB ALA 36 HB2 ALA 36 15.532 -11.298 -6.273 259 2HB ALA 36 HB1 ALA 36 15.327 -10.161 -7.605 260 3HB ALA 36 HB3 ALA 36 16.946 -10.636 -7.094 261 H THR 37 HN THR 37 15.554 -7.049 -7.086 262 HA THR 37 HA THR 37 13.275 -5.967 -5.888 263 HB THR 37 HB THR 37 12.824 -5.125 -8.369 264 HG1 THR 37 HG1 THR 37 14.626 -5.298 -9.640 265 1HG2 THR 37 HG21 THR 37 14.856 -4.419 -6.330 266 2HG2 THR 37 HG23 THR 37 15.073 -3.692 -7.923 267 3HG2 THR 37 HG22 THR 37 13.571 -3.435 -7.032 268 H GLN 38 HN GLN 38 13.194 -7.970 -8.875 269 HA GLN 38 HA GLN 38 10.444 -8.167 -9.206 270 1HB GLN 38 HB2 GLN 38 12.755 -9.857 -9.909 271 2HB GLN 38 HB1 GLN 38 11.226 -10.732 -9.834 272 1HG GLN 38 HG2 GLN 38 10.489 -8.451 -11.177 273 2HG GLN 38 HG1 GLN 38 12.135 -8.693 -11.763 274 1HE2 GLN 38 HE22 GLN 38 11.355 -11.803 -13.398 275 2HE2 GLN 38 HE21 GLN 38 12.618 -10.949 -12.651 276 H GLU 39 HN GLU 39 12.398 -10.114 -6.955 277 HA GLU 39 HA GLU 39 10.310 -11.873 -6.096 278 1HB GLU 39 HB2 GLU 39 12.737 -10.852 -4.585 279 2HB GLU 39 HB1 GLU 39 11.726 -12.204 -4.075 280 1HG GLU 39 HG2 GLU 39 12.231 -13.068 -6.536 281 2HG GLU 39 HG1 GLU 39 13.649 -12.034 -6.359 282 H MET 40 HN MET 40 11.470 -8.775 -4.769 283 HA MET 40 HA MET 40 9.717 -8.568 -2.550 284 1HB MET 40 HB2 MET 40 11.745 -7.109 -3.322 285 2HB MET 40 HB1 MET 40 10.528 -6.190 -4.191 286 1HG MET 40 HG2 MET 40 9.729 -5.262 -2.318 287 2HG MET 40 HG1 MET 40 9.721 -6.785 -1.444 288 1HE MET 40 HE2 MET 40 11.274 -7.699 -0.089 289 2HE MET 40 HE1 MET 40 12.554 -6.835 0.758 290 3HE MET 40 HE3 MET 40 10.870 -6.319 0.930 291 H LYS 41 HN LYS 41 9.430 -7.020 -5.745 292 HA LYS 41 HA LYS 41 6.843 -5.941 -5.510 293 1HB LYS 41 HB2 LYS 41 8.387 -5.569 -7.448 294 2HB LYS 41 HB1 LYS 41 8.006 -7.195 -8.015 295 1HG LYS 41 HG2 LYS 41 5.523 -6.414 -7.849 296 2HG LYS 41 HG1 LYS 41 6.204 -4.787 -7.849 297 1HD LYS 41 HD2 LYS 41 7.041 -4.991 -10.011 298 2HD LYS 41 HD1 LYS 41 7.122 -6.751 -9.922 299 1HE LYS 41 HE2 LYS 41 4.744 -6.961 -10.148 300 2HE LYS 41 HE1 LYS 41 4.506 -5.229 -9.912 301 1HZ LYS 41 HZ2 LYS 41 6.171 -6.220 -12.133 302 2HZ LYS 41 HZ1 LYS 41 4.480 -6.172 -12.287 303 3HZ LYS 41 HZ3 LYS 41 5.344 -4.743 -11.992 304 H ALA 42 HN ALA 42 7.856 -9.251 -6.073 305 HA ALA 42 HA ALA 42 5.332 -10.340 -6.911 306 1HB ALA 42 HB2 ALA 42 7.801 -11.368 -6.814 307 2HB ALA 42 HB1 ALA 42 7.213 -11.983 -5.270 308 3HB ALA 42 HB3 ALA 42 6.373 -12.401 -6.764 309 H ARG 43 HN ARG 43 6.933 -10.051 -3.754 310 HA ARG 43 HA ARG 43 4.958 -11.273 -2.123 311 1HB ARG 43 HB2 ARG 43 6.664 -8.885 -1.348 312 2HB ARG 43 HB1 ARG 43 5.956 -10.077 -0.263 313 1HG ARG 43 HG2 ARG 43 8.132 -10.584 -2.316 314 2HG ARG 43 HG1 ARG 43 8.322 -10.579 -0.566 315 1HD ARG 43 HD2 ARG 43 6.390 -12.385 -0.691 316 2HD ARG 43 HD1 ARG 43 7.015 -12.608 -2.323 317 HE ARG 43 HE ARG 43 8.684 -12.935 0.141 318 1HH1 ARG 43 HH11 ARG 43 10.114 -12.585 -2.487 319 2HH1 ARG 43 HH12 ARG 43 10.350 -14.227 -2.984 320 1HH2 ARG 43 HH21 ARG 43 8.007 -15.508 -0.770 321 2HH2 ARG 43 HH22 ARG 43 9.156 -15.883 -2.012 322 H CYS 44 HN CYS 44 5.482 -7.790 -2.619 323 HA CYS 44 HA CYS 44 3.179 -6.819 -1.348 324 1HB CYS 44 HB2 CYS 44 4.799 -5.730 -3.613 325 2HB CYS 44 HB1 CYS 44 3.321 -4.921 -3.077 326 H CYS 45 HN CYS 45 3.471 -8.105 -4.657 327 HA CYS 45 HA CYS 45 0.838 -7.172 -5.479 328 1HB CYS 45 HB2 CYS 45 2.855 -9.070 -6.662 329 2HB CYS 45 HB1 CYS 45 1.238 -8.940 -7.343 330 H ARG 46 HN ARG 46 2.115 -10.061 -3.962 331 HA ARG 46 HA ARG 46 -0.261 -11.681 -4.324 332 1HB ARG 46 HB2 ARG 46 2.168 -12.389 -3.642 333 2HB ARG 46 HB1 ARG 46 1.648 -12.014 -2.012 334 1HG ARG 46 HG2 ARG 46 -0.145 -13.715 -3.692 335 2HG ARG 46 HG1 ARG 46 1.300 -14.450 -2.997 336 1HD ARG 46 HD2 ARG 46 0.124 -12.897 -0.930 337 2HD ARG 46 HD1 ARG 46 -1.188 -13.797 -1.694 338 HE ARG 46 HE ARG 46 0.330 -15.851 -1.330 339 1HH1 ARG 46 HH21 ARG 46 -0.793 -13.779 0.984 340 2HH1 ARG 46 HH22 ARG 46 0.335 -14.225 2.220 341 1HH2 ARG 46 HH11 ARG 46 2.331 -16.099 0.092 342 2HH2 ARG 46 HH12 ARG 46 2.104 -15.538 1.714 343 H GLN 47 HN GLN 47 0.907 -9.357 -1.950 344 HA GLN 47 HA GLN 47 -1.272 -9.845 -0.051 345 1HB GLN 47 HB2 GLN 47 0.637 -7.498 -0.246 346 2HB GLN 47 HB1 GLN 47 -0.346 -7.936 1.151 347 1HG GLN 47 HG2 GLN 47 1.041 -10.287 0.559 348 2HG GLN 47 HG1 GLN 47 2.231 -9.015 0.283 349 1HE2 GLN 47 HE22 GLN 47 2.813 -8.716 3.732 350 2HE2 GLN 47 HE21 GLN 47 3.435 -8.688 2.153 351 H LEU 48 HN LEU 48 -0.628 -7.678 -2.720 352 HA LEU 48 HA LEU 48 -2.682 -5.755 -2.220 353 1HB LEU 48 HB2 LEU 48 -0.558 -5.705 -3.792 354 2HB LEU 48 HB1 LEU 48 -1.617 -6.438 -4.976 355 HG LEU 48 HG LEU 48 -1.417 -3.958 -5.157 356 1HD1 LEU 48 HD12 LEU 48 -3.793 -5.544 -5.221 357 2HD1 LEU 48 HD11 LEU 48 -4.206 -3.920 -4.676 358 3HD1 LEU 48 HD13 LEU 48 -3.362 -4.151 -6.204 359 1HD2 LEU 48 HD22 LEU 48 -1.805 -4.031 -2.377 360 2HD2 LEU 48 HD21 LEU 48 -1.705 -2.602 -3.400 361 3HD2 LEU 48 HD23 LEU 48 -3.274 -3.306 -3.028 362 H GLU 49 HN GLU 49 -2.542 -8.724 -4.228 363 HA GLU 49 HA GLU 49 -5.362 -8.463 -4.979 364 1HB GLU 49 HB2 GLU 49 -3.320 -9.766 -6.166 365 2HB GLU 49 HB1 GLU 49 -3.952 -11.096 -5.194 366 1HG GLU 49 HG2 GLU 49 -6.213 -10.688 -6.130 367 2HG GLU 49 HG1 GLU 49 -5.548 -9.402 -7.138 368 H ALA 50 HN ALA 50 -3.484 -9.998 -2.424 369 HA ALA 50 HA ALA 50 -5.329 -11.914 -1.428 370 1HB ALA 50 HB1 ALA 50 -3.354 -10.128 0.033 371 2HB ALA 50 HB3 ALA 50 -4.238 -11.441 0.809 372 3HB ALA 50 HB2 ALA 50 -3.095 -11.794 -0.486 373 H ILE 51 HN ILE 51 -4.977 -8.450 -0.827 374 HA ILE 51 HA ILE 51 -7.421 -8.279 0.795 375 HB ILE 51 HB ILE 51 -5.833 -6.020 -0.467 376 1HG1 ILE 51 HG12 ILE 51 -4.352 -7.417 0.929 377 2HG1 ILE 51 HG11 ILE 51 -4.649 -5.864 1.699 378 1HG2 ILE 51 HG21 ILE 51 -8.220 -5.715 0.520 379 2HG2 ILE 51 HG23 ILE 51 -7.437 -5.938 2.084 380 3HG2 ILE 51 HG22 ILE 51 -6.955 -4.604 1.041 381 1HD1 ILE 51 HD12 ILE 51 -6.711 -7.471 2.656 382 2HD1 ILE 51 HD11 ILE 51 -5.320 -8.556 2.622 383 3HD1 ILE 51 HD13 ILE 51 -5.239 -7.046 3.526 384 HA PRO 52 HA PRO 52 -9.506 -8.642 -3.197 385 1HB PRO 52 HB2 PRO 52 -12.081 -8.295 -2.220 386 2HB PRO 52 HB1 PRO 52 -11.215 -9.839 -2.299 387 1HG PRO 52 HG2 PRO 52 -11.612 -8.013 0.059 388 2HG PRO 52 HG1 PRO 52 -11.573 -9.788 0.007 389 1HD PRO 52 HD2 PRO 52 -9.431 -8.310 0.872 390 2HD PRO 52 HD1 PRO 52 -9.237 -9.875 0.048 391 H ALA 53 HN ALA 53 -10.255 -7.238 -4.684 392 HA ALA 53 HA ALA 53 -9.519 -4.691 -4.917 393 1HB ALA 53 HB2 ALA 53 -12.112 -5.855 -5.892 394 2HB ALA 53 HB1 ALA 53 -11.490 -4.293 -6.428 395 3HB ALA 53 HB3 ALA 53 -10.571 -5.764 -6.747 396 H TYR 54 HN TYR 54 -12.386 -5.556 -3.024 397 HA TYR 54 HA TYR 54 -13.442 -2.907 -2.730 398 1HB TYR 54 HB2 TYR 54 -13.736 -5.513 -1.322 399 2HB TYR 54 HB1 TYR 54 -14.164 -4.074 -0.395 400 HD1 TYR 54 HD1 TYR 54 -14.891 -6.014 -3.471 401 HD2 TYR 54 HD2 TYR 54 -16.095 -2.747 -0.955 402 HE1 TYR 54 HE1 TYR 54 -17.046 -5.868 -4.692 403 HE2 TYR 54 HE2 TYR 54 -18.249 -2.600 -2.176 404 HH TYR 54 HH TYR 54 -18.839 -3.641 -4.995 405 H CYS 55 HN CYS 55 -12.583 -1.202 -1.654 406 HA CYS 55 HA CYS 55 -11.450 0.056 -0.012 407 1HB CYS 55 HB2 CYS 55 -10.537 -2.538 1.256 408 2HB CYS 55 HB1 CYS 55 -10.650 -0.945 1.995 409 H ARG 56 HN ARG 56 -10.068 -1.407 -2.532 410 HA ARG 56 HA ARG 56 -7.369 -1.962 -2.027 411 1HB ARG 56 HB2 ARG 56 -8.612 -0.498 -4.373 412 2HB ARG 56 HB1 ARG 56 -6.923 -1.006 -4.340 413 1HG ARG 56 HG2 ARG 56 -8.826 -3.123 -3.598 414 2HG ARG 56 HG1 ARG 56 -9.009 -2.549 -5.246 415 1HD ARG 56 HD2 ARG 56 -7.225 -3.779 -5.850 416 2HD ARG 56 HD1 ARG 56 -6.214 -2.826 -4.766 417 HE ARG 56 HE ARG 56 -7.068 -5.539 -4.290 418 1HH1 ARG 56 HH11 ARG 56 -8.573 -4.254 -2.089 419 2HH1 ARG 56 HH12 ARG 56 -7.395 -4.088 -0.840 420 1HH2 ARG 56 HH21 ARG 56 -4.695 -4.609 -2.921 421 2HH2 ARG 56 HH22 ARG 56 -5.213 -4.314 -1.299 422 H CYS 57 HN CYS 57 -7.847 1.183 -3.621 423 HA CYS 57 HA CYS 57 -5.660 2.547 -2.702 424 1HB CYS 57 HB2 CYS 57 -8.441 3.722 -2.966 425 2HB CYS 57 HB1 CYS 57 -6.936 4.648 -2.972 426 H GLU 58 HN GLU 58 -8.662 2.338 -0.644 427 HA GLU 58 HA GLU 58 -8.048 4.008 1.449 428 1HB GLU 58 HB2 GLU 58 -9.174 1.205 1.519 429 2HB GLU 58 HB1 GLU 58 -9.116 2.242 2.945 430 1HG GLU 58 HG2 GLU 58 -10.204 3.951 1.103 431 2HG GLU 58 HG1 GLU 58 -10.861 2.406 0.561 432 H ALA 59 HN ALA 59 -6.771 0.623 1.226 433 HA ALA 59 HA ALA 59 -5.288 0.386 3.519 434 1HB ALA 59 HB2 ALA 59 -4.464 -0.391 0.722 435 2HB ALA 59 HB1 ALA 59 -3.630 -0.944 2.174 436 3HB ALA 59 HB3 ALA 59 -5.314 -1.393 1.899 437 H VAL 60 HN VAL 60 -4.147 2.128 0.642 438 HA VAL 60 HA VAL 60 -1.555 2.838 1.506 439 HB VAL 60 HB VAL 60 -3.408 4.630 -0.087 440 1HG1 VAL 60 HG11 VAL 60 -1.022 5.313 0.782 441 2HG1 VAL 60 HG13 VAL 60 -0.459 4.274 -0.528 442 3HG1 VAL 60 HG12 VAL 60 -1.479 5.669 -0.883 443 1HG2 VAL 60 HG23 VAL 60 -2.301 1.982 -0.714 444 2HG2 VAL 60 HG22 VAL 60 -3.556 2.900 -1.548 445 3HG2 VAL 60 HG21 VAL 60 -1.857 3.208 -1.901 446 H ARG 61 HN ARG 61 -4.624 4.585 1.892 447 HA ARG 61 HA ARG 61 -3.657 6.806 3.387 448 1HB ARG 61 HB2 ARG 61 -6.080 6.130 2.404 449 2HB ARG 61 HB1 ARG 61 -6.337 5.732 4.104 450 1HG ARG 61 HG2 ARG 61 -5.951 7.936 4.813 451 2HG ARG 61 HG1 ARG 61 -5.086 8.360 3.336 452 1HD ARG 61 HD2 ARG 61 -7.201 9.401 3.092 453 2HD ARG 61 HD1 ARG 61 -7.321 7.935 2.120 454 HE ARG 61 HE ARG 61 -8.275 7.115 4.562 455 1HH1 ARG 61 HH21 ARG 61 -9.693 8.188 1.878 456 2HH1 ARG 61 HH22 ARG 61 -11.000 9.051 2.619 457 1HH2 ARG 61 HH11 ARG 61 -9.629 8.922 5.802 458 2HH2 ARG 61 HH12 ARG 61 -10.963 9.466 4.841 459 H ILE 62 HN ILE 62 -4.397 3.523 4.376 460 HA ILE 62 HA ILE 62 -4.339 4.070 7.252 461 HB ILE 62 HB ILE 62 -4.277 1.516 5.602 462 1HG1 ILE 62 HG12 ILE 62 -6.438 2.192 7.533 463 2HG1 ILE 62 HG11 ILE 62 -6.351 3.169 6.067 464 1HG2 ILE 62 HG23 ILE 62 -3.895 1.928 8.538 465 2HG2 ILE 62 HG22 ILE 62 -4.934 0.595 8.037 466 3HG2 ILE 62 HG21 ILE 62 -3.259 0.660 7.491 467 1HD1 ILE 62 HD12 ILE 62 -6.110 0.208 5.767 468 2HD1 ILE 62 HD11 ILE 62 -7.705 0.863 6.133 469 3HD1 ILE 62 HD13 ILE 62 -6.846 1.390 4.685 470 H LEU 63 HN LEU 63 -1.972 3.233 4.803 471 HA LEU 63 HA LEU 63 0.047 2.431 6.744 472 1HB LEU 63 HB2 LEU 63 -0.019 1.658 4.326 473 2HB LEU 63 HB1 LEU 63 0.505 3.279 3.873 474 HG LEU 63 HG LEU 63 2.325 2.685 5.821 475 1HD1 LEU 63 HD12 LEU 63 1.276 0.346 5.883 476 2HD1 LEU 63 HD11 LEU 63 1.973 0.106 4.280 477 3HD1 LEU 63 HD13 LEU 63 3.024 0.411 5.663 478 1HD2 LEU 63 HD23 LEU 63 2.460 3.380 3.257 479 2HD2 LEU 63 HD22 LEU 63 3.864 2.707 4.085 480 3HD2 LEU 63 HD21 LEU 63 2.872 1.677 3.053 481 H MET 64 HN MET 64 -0.563 5.404 4.859 482 HA MET 64 HA MET 64 1.723 6.736 6.098 483 1HB MET 64 HB2 MET 64 0.818 7.329 3.802 484 2HB MET 64 HB1 MET 64 -0.563 8.079 4.608 485 1HG MET 64 HG2 MET 64 1.878 8.974 5.871 486 2HG MET 64 HG1 MET 64 1.991 9.229 4.132 487 1HE MET 64 HE3 MET 64 1.924 10.832 6.741 488 2HE MET 64 HE2 MET 64 1.812 12.205 5.640 489 3HE MET 64 HE1 MET 64 0.617 12.011 6.920 490 H ASP 65 HN ASP 65 -1.842 7.063 6.405 491 HA ASP 65 HA ASP 65 -1.501 8.865 8.684 492 1HB ASP 65 HB2 ASP 65 -3.973 7.873 7.226 493 2HB ASP 65 HB1 ASP 65 -4.099 8.617 8.821 494 H GLY 66 HN GLY 66 -1.896 5.437 8.286 495 1HA GLY 66 HA2 GLY 66 -1.655 3.805 10.005 496 2HA GLY 66 HA1 GLY 66 -1.696 5.097 11.200 497 H VAL 67 HN VAL 67 -3.201 2.544 11.106 498 HA VAL 67 HA VAL 67 -5.999 3.625 11.112 499 HB VAL 67 HB VAL 67 -5.762 1.920 9.396 500 1HG1 VAL 67 HG13 VAL 67 -4.698 0.175 11.634 501 2HG1 VAL 67 HG12 VAL 67 -5.045 -0.378 9.996 502 3HG1 VAL 67 HG11 VAL 67 -3.765 0.802 10.276 503 1HG2 VAL 67 HG23 VAL 67 -7.807 1.946 10.959 504 2HG2 VAL 67 HG22 VAL 67 -7.539 0.474 10.024 505 3HG2 VAL 67 HG21 VAL 67 -7.087 0.529 11.727 506 H VAL 68 HN VAL 68 -7.409 2.683 12.791 507 HA VAL 68 HA VAL 68 -5.852 1.936 15.223 508 HB VAL 68 HB VAL 68 -8.438 3.512 14.991 509 1HG1 VAL 68 HG12 VAL 68 -6.962 2.457 17.426 510 2HG1 VAL 68 HG11 VAL 68 -8.165 3.744 17.508 511 3HG1 VAL 68 HG13 VAL 68 -8.632 2.131 16.969 512 1HG2 VAL 68 HG21 VAL 68 -5.567 4.146 15.542 513 2HG2 VAL 68 HG23 VAL 68 -6.766 5.076 14.642 514 3HG2 VAL 68 HG22 VAL 68 -6.795 5.071 16.405 515 H THR 69 HN THR 69 -6.926 0.538 16.714 516 HA THR 69 HA THR 69 -8.770 -1.412 15.437 517 HB THR 69 HB THR 69 -7.702 -3.084 17.001 518 HG1 THR 69 HG1 THR 69 -6.058 -2.484 18.203 519 1HG2 THR 69 HG22 THR 69 -6.353 -1.712 14.734 520 2HG2 THR 69 HG21 THR 69 -5.375 -2.829 15.687 521 3HG2 THR 69 HG23 THR 69 -6.846 -3.397 14.898 522 H SER 70 HN SER 70 -10.199 -2.488 16.901 523 HA SER 70 HA SER 70 -11.633 -0.732 18.615 524 1HB SER 70 HB2 SER 70 -12.619 -2.667 17.392 525 2HB SER 70 HB1 SER 70 -11.754 -3.752 18.476 526 HG SER 70 HG SER 70 -13.280 -3.441 19.875 527 H SER 71 HN SER 71 -9.214 -3.148 19.200 528 HA SER 71 HA SER 71 -9.466 -3.397 22.036 529 1HB SER 71 HB2 SER 71 -6.952 -4.030 21.833 530 2HB SER 71 HB1 SER 71 -8.134 -5.049 21.016 531 HG SER 71 HG SER 71 -6.951 -4.616 19.327 532 H GLY 72 HN GLY 72 -8.276 -0.813 20.067 533 1HA GLY 72 HA2 GLY 72 -7.897 1.404 21.037 534 2HA GLY 72 HA1 GLY 72 -7.369 0.605 22.519 535 H GLN 73 HN GLN 73 -6.125 -0.949 19.697 536 HA GLN 73 HA GLN 73 -3.450 0.287 20.238 537 1HB GLN 73 HB2 GLN 73 -4.126 -2.282 18.768 538 2HB GLN 73 HB1 GLN 73 -2.512 -1.725 19.217 539 1HG GLN 73 HG2 GLN 73 -2.922 -2.032 21.527 540 2HG GLN 73 HG1 GLN 73 -4.668 -2.128 21.290 541 1HE2 GLN 73 HE22 GLN 73 -2.523 -5.508 21.162 542 2HE2 GLN 73 HE21 GLN 73 -1.905 -4.035 21.738 543 H HIS 74 HN HIS 74 -2.088 0.809 18.350 544 HA HIS 74 HA HIS 74 -3.695 1.499 15.922 545 1HB HIS 74 HB2 HIS 74 -1.381 2.852 17.285 546 2HB HIS 74 HB1 HIS 74 -1.741 3.161 15.605 547 HD1 HIS 74 HD1 HIS 74 -2.640 5.526 15.803 548 HD2 HIS 74 HD2 HIS 74 -4.555 2.878 18.390 549 HE1 HIS 74 HE1 HIS 74 -4.582 6.792 16.822 550 H GLU 75 HN GLU 75 -2.532 1.251 13.878 551 HA GLU 75 HA GLU 75 -0.054 -0.350 13.978 552 1HB GLU 75 HB2 GLU 75 -2.316 -1.262 12.213 553 2HB GLU 75 HB1 GLU 75 -0.850 -2.128 12.663 554 1HG GLU 75 HG2 GLU 75 -2.380 -3.153 14.070 555 2HG GLU 75 HG1 GLU 75 -1.817 -1.847 15.112 556 H GLY 76 HN GLY 76 0.490 -0.904 11.502 557 1HA GLY 76 HA2 GLY 76 1.289 -0.007 9.491 558 2HA GLY 76 HA1 GLY 76 -0.178 0.979 9.468 559 H ARG 77 HN ARG 77 0.503 3.009 9.134 560 HA ARG 77 HA ARG 77 1.720 5.010 9.282 561 1HB ARG 77 HB2 ARG 77 1.800 5.928 11.522 562 2HB ARG 77 HB1 ARG 77 0.298 5.033 11.321 563 1HG ARG 77 HG2 ARG 77 1.135 3.178 12.596 564 2HG ARG 77 HG1 ARG 77 2.772 3.835 12.592 565 1HD ARG 77 HD2 ARG 77 0.583 5.534 13.716 566 2HD ARG 77 HD1 ARG 77 1.157 4.175 14.684 567 HE ARG 77 HE ARG 77 3.059 6.231 13.640 568 1HH1 ARG 77 HH11 ARG 77 4.960 5.272 14.958 569 2HH1 ARG 77 HH12 ARG 77 4.680 5.317 16.666 570 1HH2 ARG 77 HH21 ARG 77 1.271 5.877 16.358 571 2HH2 ARG 77 HH22 ARG 77 2.591 5.660 17.460 572 H LEU 78 HN LEU 78 3.340 2.512 8.957 573 HA LEU 78 HA LEU 78 5.709 2.722 10.597 574 1HB LEU 78 HB2 LEU 78 5.077 1.210 8.056 575 2HB LEU 78 HB1 LEU 78 6.675 1.163 8.802 576 HG LEU 78 HG LEU 78 4.317 0.685 10.568 577 1HD1 LEU 78 HD13 LEU 78 5.278 -1.162 8.394 578 2HD1 LEU 78 HD12 LEU 78 4.651 -1.821 9.905 579 3HD1 LEU 78 HD11 LEU 78 3.625 -0.803 8.893 580 1HD2 LEU 78 HD22 LEU 78 7.105 -0.490 10.331 581 2HD2 LEU 78 HD21 LEU 78 6.592 0.741 11.484 582 3HD2 LEU 78 HD23 LEU 78 5.943 -0.894 11.594 583 H LEU 79 HN LEU 79 4.636 4.400 7.751 584 HA LEU 79 HA LEU 79 6.993 5.096 6.416 585 1HB LEU 79 HB2 LEU 79 5.025 5.932 5.444 586 2HB LEU 79 HB1 LEU 79 4.403 6.530 6.974 587 HG LEU 79 HG LEU 79 5.908 8.413 6.934 588 1HD1 LEU 79 HD11 LEU 79 7.220 6.894 4.701 589 2HD1 LEU 79 HD13 LEU 79 7.368 8.649 4.771 590 3HD1 LEU 79 HD12 LEU 79 7.963 7.661 6.102 591 1HD2 LEU 79 HD23 LEU 79 3.828 8.264 5.337 592 2HD2 LEU 79 HD22 LEU 79 4.952 9.613 5.168 593 3HD2 LEU 79 HD21 LEU 79 5.046 8.244 4.061 594 H GLN 80 HN GLN 80 8.861 5.561 7.521 595 HA GLN 80 HA GLN 80 8.853 7.930 9.328 596 1HB GLN 80 HB2 GLN 80 10.100 5.234 9.951 597 2HB GLN 80 HB1 GLN 80 10.460 6.709 10.844 598 1HG GLN 80 HG2 GLN 80 7.578 6.082 10.518 599 2HG GLN 80 HG1 GLN 80 8.488 4.980 11.551 600 1HE2 GLN 80 HE22 GLN 80 7.516 8.618 12.953 601 2HE2 GLN 80 HE21 GLN 80 6.892 7.995 11.502 602 H ASP 81 HN ASP 81 11.153 8.594 9.780 603 HA ASP 81 HA ASP 81 12.577 8.853 7.255 604 1HB ASP 81 HB2 ASP 81 13.385 9.851 10.011 605 2HB ASP 81 HB1 ASP 81 14.006 10.399 8.452 606 H LEU 82 HN LEU 82 13.694 7.118 6.653 607 HA LEU 82 HA LEU 82 15.260 5.464 8.541 608 1HB LEU 82 HB2 LEU 82 14.548 5.327 5.612 609 2HB LEU 82 HB1 LEU 82 15.865 4.348 6.220 610 HG LEU 82 HG LEU 82 13.182 4.334 7.590 611 1HD1 LEU 82 HD11 LEU 82 13.050 3.791 5.057 612 2HD1 LEU 82 HD13 LEU 82 13.969 2.340 5.459 613 3HD1 LEU 82 HD12 LEU 82 12.380 2.606 6.177 614 1HD2 LEU 82 HD21 LEU 82 15.656 2.632 7.521 615 2HD2 LEU 82 HD23 LEU 82 14.721 3.183 8.912 616 3HD2 LEU 82 HD22 LEU 82 14.109 1.874 7.901 617 HA PRO 83 HA PRO 83 19.070 7.554 7.734 618 1HB PRO 83 HB2 PRO 83 20.885 5.593 7.044 619 2HB PRO 83 HB1 PRO 83 20.348 5.914 8.701 620 1HG PRO 83 HG2 PRO 83 19.537 3.706 6.852 621 2HG PRO 83 HG1 PRO 83 19.650 3.704 8.620 622 1HD PRO 83 HD2 PRO 83 17.273 3.906 7.201 623 2HD PRO 83 HD1 PRO 83 17.477 4.440 8.877 624 H GLY 84 HN GLY 84 18.752 8.836 5.957 625 1HA GLY 84 HA2 GLY 84 19.460 9.563 3.791 626 2HA GLY 84 HA1 GLY 84 19.796 7.889 3.357 627 H CYS 85 HN CYS 85 16.695 8.245 4.839 628 HA CYS 85 HA CYS 85 15.312 8.697 2.243 629 1HB CYS 85 HB2 CYS 85 14.415 6.415 3.989 630 2HB CYS 85 HB1 CYS 85 14.094 6.697 2.285 631 HA PRO 86 HA PRO 86 13.289 10.801 5.819 632 1HB PRO 86 HB2 PRO 86 12.460 13.026 4.404 633 2HB PRO 86 HB1 PRO 86 14.022 12.897 5.201 634 1HG PRO 86 HG2 PRO 86 13.374 12.707 2.304 635 2HG PRO 86 HG1 PRO 86 14.885 13.211 3.078 636 1HD PRO 86 HD2 PRO 86 14.418 10.704 1.893 637 2HD PRO 86 HD1 PRO 86 15.751 11.080 3.005 638 H ARG 87 HN ARG 87 10.983 11.324 6.187 639 HA ARG 87 HA ARG 87 9.088 9.616 5.088 640 1HB ARG 87 HB2 ARG 87 8.661 12.452 6.083 641 2HB ARG 87 HB1 ARG 87 7.407 11.230 5.920 642 1HG ARG 87 HG2 ARG 87 8.839 9.769 7.427 643 2HG ARG 87 HG1 ARG 87 9.786 11.216 7.753 644 1HD ARG 87 HD2 ARG 87 7.928 10.701 9.430 645 2HD ARG 87 HD1 ARG 87 7.939 12.327 8.759 646 HE ARG 87 HE ARG 87 6.158 10.222 7.618 647 1HH1 ARG 87 HH21 ARG 87 5.773 12.647 6.224 648 2HH1 ARG 87 HH22 ARG 87 4.611 13.532 7.153 649 1HH2 ARG 87 HH11 ARG 87 5.073 11.641 10.023 650 2HH2 ARG 87 HH12 ARG 87 4.214 12.962 9.303 651 H GLN 88 HN GLN 88 10.307 12.672 3.910 652 HA GLN 88 HA GLN 88 8.311 13.499 2.098 653 1HB GLN 88 HB2 GLN 88 10.733 14.444 2.813 654 2HB GLN 88 HB1 GLN 88 11.124 13.821 1.211 655 1HG GLN 88 HG2 GLN 88 9.670 15.286 0.137 656 2HG GLN 88 HG1 GLN 88 8.651 15.480 1.565 657 1HE2 GLN 88 HE22 GLN 88 11.906 17.884 1.062 658 2HE2 GLN 88 HE21 GLN 88 11.603 16.605 -0.011 659 H VAL 89 HN VAL 89 11.100 11.346 1.369 660 HA VAL 89 HA VAL 89 10.469 10.959 -1.385 661 HB VAL 89 HB VAL 89 12.008 9.227 0.570 662 1HG1 VAL 89 HG11 VAL 89 11.594 9.131 -2.395 663 2HG1 VAL 89 HG13 VAL 89 13.197 8.749 -1.766 664 3HG1 VAL 89 HG12 VAL 89 11.799 7.802 -1.253 665 1HG2 VAL 89 HG21 VAL 89 12.765 11.555 0.386 666 2HG2 VAL 89 HG23 VAL 89 13.936 10.423 -0.285 667 3HG2 VAL 89 HG22 VAL 89 12.898 11.360 -1.360 668 H GLN 90 HN GLN 90 9.619 9.220 1.546 669 HA GLN 90 HA GLN 90 8.284 7.005 0.280 670 1HB GLN 90 HB2 GLN 90 7.277 8.049 2.899 671 2HB GLN 90 HB1 GLN 90 7.497 6.385 2.385 672 1HG GLN 90 HG2 GLN 90 9.644 8.333 3.272 673 2HG GLN 90 HG1 GLN 90 9.155 6.843 4.065 674 1HE2 GLN 90 HE22 GLN 90 12.247 6.411 1.864 675 2HE2 GLN 90 HE21 GLN 90 11.837 7.654 2.941 676 H ARG 91 HN ARG 91 7.342 10.291 1.044 677 HA ARG 91 HA ARG 91 4.497 9.849 0.567 678 1HB ARG 91 HB2 ARG 91 5.696 11.746 1.966 679 2HB ARG 91 HB1 ARG 91 5.723 12.572 0.407 680 1HG ARG 91 HG2 ARG 91 3.675 13.219 1.476 681 2HG ARG 91 HG1 ARG 91 3.238 12.060 0.222 682 1HD ARG 91 HD2 ARG 91 3.650 10.363 2.296 683 2HD ARG 91 HD1 ARG 91 3.115 11.789 3.177 684 HE ARG 91 HE ARG 91 1.097 11.741 1.567 685 1HH1 ARG 91 HH11 ARG 91 2.916 8.912 1.266 686 2HH1 ARG 91 HH12 ARG 91 1.593 7.839 1.557 687 1HH2 ARG 91 HH21 ARG 91 -0.623 10.356 2.432 688 2HH2 ARG 91 HH22 ARG 91 -0.408 8.652 2.204 689 H ALA 92 HN ALA 92 7.294 10.697 -1.366 690 HA ALA 92 HA ALA 92 5.814 11.755 -3.628 691 1HB ALA 92 HB2 ALA 92 8.632 10.890 -3.111 692 2HB ALA 92 HB1 ALA 92 8.098 11.013 -4.787 693 3HB ALA 92 HB3 ALA 92 8.027 12.425 -3.732 694 H PHE 93 HN PHE 93 7.371 8.595 -2.980 695 HA PHE 93 HA PHE 93 6.269 7.362 -5.391 696 1HB PHE 93 HB2 PHE 93 8.431 6.624 -4.535 697 2HB PHE 93 HB1 PHE 93 7.710 6.196 -2.987 698 HD1 PHE 93 HD2 PHE 93 6.115 4.285 -2.826 699 HD2 PHE 93 HD1 PHE 93 8.240 5.174 -6.452 700 HE1 PHE 93 HE2 PHE 93 5.564 2.033 -3.700 701 HE2 PHE 93 HE1 PHE 93 7.689 2.920 -7.328 702 HZ PHE 93 HZ PHE 93 6.351 1.348 -5.952 703 H ALA 94 HN ALA 94 5.288 7.636 -2.064 704 HA ALA 94 HA ALA 94 3.701 5.438 -1.591 705 1HB ALA 94 HB2 ALA 94 3.568 8.278 -0.712 706 2HB ALA 94 HB1 ALA 94 2.193 7.238 -0.336 707 3HB ALA 94 HB3 ALA 94 3.805 6.810 0.237 708 HA PRO 95 HA PRO 95 -0.188 7.402 -3.617 709 1HB PRO 95 HB2 PRO 95 0.177 9.439 -5.428 710 2HB PRO 95 HB1 PRO 95 -0.154 9.674 -3.704 711 1HG PRO 95 HG2 PRO 95 2.420 9.977 -5.182 712 2HG PRO 95 HG1 PRO 95 1.866 10.792 -3.710 713 1HD PRO 95 HD2 PRO 95 3.686 8.662 -3.794 714 2HD PRO 95 HD1 PRO 95 2.818 9.206 -2.354 715 H LYS 96 HN LYS 96 2.048 5.656 -4.890 716 HA LYS 96 HA LYS 96 0.690 5.336 -7.508 717 1HB LYS 96 HB2 LYS 96 3.499 6.037 -7.035 718 2HB LYS 96 HB1 LYS 96 3.333 4.557 -7.980 719 1HG LYS 96 HG2 LYS 96 2.399 5.642 -9.771 720 2HG LYS 96 HG1 LYS 96 1.550 6.807 -8.754 721 1HD LYS 96 HD2 LYS 96 3.411 8.203 -8.564 722 2HD LYS 96 HD1 LYS 96 4.548 6.901 -8.918 723 1HE LYS 96 HE2 LYS 96 4.408 8.400 -10.845 724 2HE LYS 96 HE1 LYS 96 3.700 6.840 -11.261 725 1HZ LYS 96 HZ3 LYS 96 2.063 9.082 -10.242 726 2HZ LYS 96 HZ2 LYS 96 2.400 8.898 -11.897 727 3HZ LYS 96 HZ1 LYS 96 1.546 7.690 -11.062 728 H LEU 97 HN LEU 97 0.256 3.997 -5.034 729 HA LEU 97 HA LEU 97 1.684 1.474 -4.931 730 1HB LEU 97 HB2 LEU 97 -0.031 2.885 -3.230 731 2HB LEU 97 HB1 LEU 97 -0.932 1.429 -3.642 732 HG LEU 97 HG LEU 97 1.964 1.223 -2.866 733 1HD1 LEU 97 HD11 LEU 97 0.779 2.565 -1.110 734 2HD1 LEU 97 HD13 LEU 97 -0.367 1.236 -0.925 735 3HD1 LEU 97 HD12 LEU 97 1.334 0.996 -0.527 736 1HD2 LEU 97 HD21 LEU 97 0.501 -0.672 -3.835 737 2HD2 LEU 97 HD23 LEU 97 1.388 -1.020 -2.352 738 3HD2 LEU 97 HD22 LEU 97 -0.334 -0.648 -2.283 739 H VAL 98 HN VAL 98 -1.894 1.780 -5.333 740 HA VAL 98 HA VAL 98 -1.937 -0.715 -6.822 741 HB VAL 98 HB VAL 98 -4.327 -0.433 -6.907 742 1HG1 VAL 98 HG13 VAL 98 -3.220 -0.947 -4.720 743 2HG1 VAL 98 HG12 VAL 98 -3.364 0.764 -4.314 744 3HG1 VAL 98 HG11 VAL 98 -4.815 -0.208 -4.570 745 1HG2 VAL 98 HG23 VAL 98 -3.777 2.444 -6.102 746 2HG2 VAL 98 HG22 VAL 98 -4.524 1.892 -7.602 747 3HG2 VAL 98 HG21 VAL 98 -5.377 1.703 -6.071 748 H THR 99 HN THR 99 -0.769 2.058 -7.940 749 HA THR 99 HA THR 99 -2.211 2.210 -10.479 750 HB THR 99 HB THR 99 -0.874 4.135 -10.973 751 HG1 THR 99 HG1 THR 99 1.158 4.063 -10.531 752 1HG2 THR 99 HG22 THR 99 -2.424 4.466 -9.071 753 2HG2 THR 99 HG21 THR 99 -1.107 4.078 -7.964 754 3HG2 THR 99 HG23 THR 99 -1.007 5.514 -8.983 755 H GLU 100 HN GLU 100 -0.566 2.288 -12.531 756 HA GLU 100 HA GLU 100 0.502 -0.361 -12.768 757 1HB GLU 100 HB2 GLU 100 0.404 2.091 -14.427 758 2HB GLU 100 HB1 GLU 100 1.719 0.976 -14.802 759 1HG GLU 100 HG2 GLU 100 -0.420 -0.741 -14.499 760 2HG GLU 100 HG1 GLU 100 -1.180 0.671 -15.233 761 H VAL 101 HN VAL 101 1.900 1.989 -10.802 762 HA VAL 101 HA VAL 101 4.655 1.441 -11.680 763 HB VAL 101 HB VAL 101 3.602 3.270 -9.496 764 1HG1 VAL 101 HG13 VAL 101 6.335 2.580 -10.509 765 2HG1 VAL 101 HG12 VAL 101 6.015 4.249 -10.034 766 3HG1 VAL 101 HG11 VAL 101 5.810 2.943 -8.865 767 1HG2 VAL 101 HG21 VAL 101 4.323 3.653 -12.399 768 2HG2 VAL 101 HG23 VAL 101 2.886 4.206 -11.537 769 3HG2 VAL 101 HG22 VAL 101 4.440 4.991 -11.256 770 H GLU 102 HN GLU 102 2.397 -0.068 -9.576 771 HA GLU 102 HA GLU 102 4.714 -1.378 -8.233 772 1HB GLU 102 HB2 GLU 102 3.880 0.441 -6.723 773 2HB GLU 102 HB1 GLU 102 2.375 -0.446 -6.586 774 1HG GLU 102 HG2 GLU 102 3.596 -1.218 -4.738 775 2HG GLU 102 HG1 GLU 102 3.859 -2.473 -5.950 776 H CYS 103 HN CYS 103 1.247 -1.826 -7.312 777 HA CYS 103 HA CYS 103 1.399 -4.530 -8.608 778 1HB CYS 103 HB2 CYS 103 0.884 -3.853 -5.719 779 2HB CYS 103 HB1 CYS 103 0.201 -5.316 -6.425 780 H ASN 104 HN ASN 104 -0.069 -2.225 -9.594 781 HA ASN 104 HA ASN 104 -2.692 -1.850 -8.847 782 1HB ASN 104 HB2 ASN 104 -1.748 -0.600 -10.656 783 2HB ASN 104 HB1 ASN 104 -1.513 -2.043 -11.626 784 1HD2 ASN 104 HD22 ASN 104 -4.670 -1.664 -13.115 785 2HD2 ASN 104 HD21 ASN 104 -3.053 -2.165 -13.253 786 H LEU 105 HN LEU 105 -2.660 -3.700 -11.832 787 HA LEU 105 HA LEU 105 -3.546 -5.807 -12.387 788 1HB LEU 105 HB2 LEU 105 -4.568 -6.112 -9.557 789 2HB LEU 105 HB1 LEU 105 -4.400 -7.367 -10.780 790 HG LEU 105 HG LEU 105 -1.895 -5.917 -10.175 791 1HD1 LEU 105 HD13 LEU 105 -3.218 -6.222 -7.934 792 2HD1 LEU 105 HD12 LEU 105 -2.819 -7.928 -8.135 793 3HD1 LEU 105 HD11 LEU 105 -1.531 -6.730 -8.007 794 1HD2 LEU 105 HD23 LEU 105 -2.850 -8.692 -10.753 795 2HD2 LEU 105 HD22 LEU 105 -1.536 -7.782 -11.496 796 3HD2 LEU 105 HD21 LEU 105 -1.315 -8.509 -9.904 797 H ALA 106 HN ALA 106 -5.489 -4.166 -9.976 798 HA ALA 106 HA ALA 106 -7.322 -2.747 -11.421 799 1HB ALA 106 HB3 ALA 106 -7.789 -5.606 -11.855 800 2HB ALA 106 HB2 ALA 106 -9.184 -4.860 -11.080 801 3HB ALA 106 HB1 ALA 106 -8.586 -4.227 -12.613 802 H THR 107 HN THR 107 -8.356 -1.616 -9.858 803 HA THR 107 HA THR 107 -8.334 -2.662 -7.094 804 HB THR 107 HB THR 107 -8.501 -0.403 -6.391 805 HG1 THR 107 HG1 THR 107 -9.970 -0.113 -8.762 806 1HG2 THR 107 HG22 THR 107 -6.621 -0.868 -8.316 807 2HG2 THR 107 HG21 THR 107 -7.500 0.481 -9.037 808 3HG2 THR 107 HG23 THR 107 -6.769 0.657 -7.442 809 H ILE 108 HN ILE 108 -10.707 -0.876 -6.457 810 HA ILE 108 HA ILE 108 -12.844 -2.710 -6.461 811 HB ILE 108 HB ILE 108 -12.680 -0.751 -4.981 812 1HG1 ILE 108 HG12 ILE 108 -15.002 0.117 -5.217 813 2HG1 ILE 108 HG11 ILE 108 -15.101 -0.626 -6.812 814 1HG2 ILE 108 HG21 ILE 108 -11.738 0.675 -6.979 815 2HG2 ILE 108 HG23 ILE 108 -13.432 1.044 -7.286 816 3HG2 ILE 108 HG22 ILE 108 -12.699 1.474 -5.742 817 1HD1 ILE 108 HD13 ILE 108 -14.254 -2.386 -4.566 818 2HD1 ILE 108 HD12 ILE 108 -15.945 -1.884 -4.589 819 3HD1 ILE 108 HD11 ILE 108 -15.264 -2.754 -5.964 820 H HIS 109 HN HIS 109 -12.054 -0.131 -8.763 821 HA HIS 109 HA HIS 109 -14.448 -0.681 -10.409 822 1HB HIS 109 HB2 HIS 109 -13.344 1.196 -11.859 823 2HB HIS 109 HB1 HIS 109 -14.216 1.587 -10.381 824 HD1 HIS 109 HD1 HIS 109 -10.670 0.781 -11.451 825 HD2 HIS 109 HD2 HIS 109 -12.655 3.060 -8.577 826 HE1 HIS 109 HE1 HIS 109 -8.931 1.917 -10.050 827 H GLY 110 HN GLY 110 -12.066 -2.604 -10.196 828 1HA GLY 110 HA2 GLY 110 -10.904 -4.047 -11.612 829 2HA GLY 110 HA1 GLY 110 -12.212 -3.733 -12.740 830 H GLY 111 HN GLY 111 -9.239 -2.027 -11.567 831 1HA GLY 111 HA2 GLY 111 -7.777 -1.945 -13.872 832 2HA GLY 111 HA1 GLY 111 -8.954 -0.675 -14.151 833 HA PRO 112 HA PRO 112 -5.383 0.944 -11.561 834 1HB PRO 112 HB2 PRO 112 -3.958 2.200 -13.560 835 2HB PRO 112 HB1 PRO 112 -3.659 0.532 -13.052 836 1HG PRO 112 HG2 PRO 112 -4.904 1.542 -15.539 837 2HG PRO 112 HG1 PRO 112 -4.199 -0.049 -15.213 838 1HD PRO 112 HD2 PRO 112 -6.992 0.650 -15.260 839 2HD PRO 112 HD1 PRO 112 -6.280 -0.930 -14.869 840 H PHE 113 HN PHE 113 -7.334 2.332 -10.931 841 HA PHE 113 HA PHE 113 -6.834 5.133 -11.317 842 1HB PHE 113 HB2 PHE 113 -8.598 5.854 -12.859 843 2HB PHE 113 HB1 PHE 113 -7.484 4.775 -13.667 844 HD1 PHE 113 HD2 PHE 113 -8.252 2.130 -13.546 845 HD2 PHE 113 HD1 PHE 113 -10.887 5.505 -13.141 846 HE1 PHE 113 HE2 PHE 113 -10.156 0.743 -14.240 847 HE2 PHE 113 HE1 PHE 113 -12.780 4.089 -13.851 848 HZ PHE 113 HZ PHE 113 -12.403 1.699 -14.400 849 H CYS 114 HN CYS 114 -7.470 5.179 -8.972 850 HA CYS 114 HA CYS 114 -10.437 4.990 -8.623 851 1HB CYS 114 HB2 CYS 114 -10.159 4.395 -6.329 852 2HB CYS 114 HB1 CYS 114 -9.084 3.352 -7.251 853 H LEU 115 HN LEU 115 -10.995 6.335 -6.486 854 HA LEU 115 HA LEU 115 -11.277 8.484 -5.572 855 1HB LEU 115 HB2 LEU 115 -8.442 8.336 -6.221 856 2HB LEU 115 HB1 LEU 115 -9.047 9.971 -6.477 857 HG LEU 115 HG LEU 115 -8.253 9.694 -4.164 858 1HD1 LEU 115 HD13 LEU 115 -10.432 11.000 -4.845 859 2HD1 LEU 115 HD12 LEU 115 -11.248 9.726 -3.939 860 3HD1 LEU 115 HD11 LEU 115 -10.060 10.756 -3.139 861 1HD2 LEU 115 HD21 LEU 115 -8.763 7.204 -4.113 862 2HD2 LEU 115 HD23 LEU 115 -9.224 8.088 -2.659 863 3HD2 LEU 115 HD22 LEU 115 -10.452 7.635 -3.841 864 H SER 116 HN SER 116 -12.201 7.695 -8.189 865 HA SER 116 HA SER 116 -13.007 10.277 -9.232 866 1HB SER 116 HB2 SER 116 -12.013 10.036 -11.460 867 2HB SER 116 HB1 SER 116 -10.733 10.006 -10.250 868 HG SER 116 HG SER 116 -10.715 8.314 -11.937 869 H LEU 117 HN LEU 117 -13.385 8.591 -11.934 870 HA LEU 117 HA LEU 117 -15.007 7.235 -12.852 871 1HB LEU 117 HB2 LEU 117 -14.962 6.063 -10.056 872 2HB LEU 117 HB1 LEU 117 -16.017 5.446 -11.320 873 HG LEU 117 HG LEU 117 -13.598 5.601 -12.629 874 1HD1 LEU 117 HD11 LEU 117 -13.138 4.992 -9.709 875 2HD1 LEU 117 HD13 LEU 117 -12.113 4.284 -10.955 876 3HD1 LEU 117 HD12 LEU 117 -12.199 6.035 -10.777 877 1HD2 LEU 117 HD21 LEU 117 -14.905 3.340 -11.101 878 2HD2 LEU 117 HD23 LEU 117 -15.052 3.707 -12.820 879 3HD2 LEU 117 HD22 LEU 117 -13.531 3.105 -12.174 880 H LEU 118 HN LEU 118 -17.219 6.638 -10.332 881 HA LEU 118 HA LEU 118 -19.204 7.577 -9.631 882 1HB LEU 118 HB2 LEU 118 -17.677 10.054 -10.297 883 2HB LEU 118 HB1 LEU 118 -19.405 10.162 -10.002 884 HG LEU 118 HG LEU 118 -18.924 8.773 -7.871 885 1HD1 LEU 118 HD13 LEU 118 -16.192 9.427 -8.881 886 2HD1 LEU 118 HD12 LEU 118 -16.464 9.475 -7.140 887 3HD1 LEU 118 HD11 LEU 118 -16.755 7.984 -8.037 888 1HD2 LEU 118 HD23 LEU 118 -18.243 11.635 -8.403 889 2HD2 LEU 118 HD22 LEU 118 -19.507 10.958 -7.377 890 3HD2 LEU 118 HD21 LEU 118 -17.834 10.972 -6.822 891 H GLY 119 HN GLY 119 -18.358 7.924 -12.968 892 1HA GLY 119 HA2 GLY 119 -21.112 7.610 -13.774 893 2HA GLY 119 HA1 GLY 119 -20.469 9.203 -14.176 894 H ALA 120 HN ALA 120 -19.374 9.383 -16.075 895 HA ALA 120 HA ALA 120 -18.172 6.956 -17.288 896 1HB ALA 120 HB1 ALA 120 -20.424 7.566 -18.285 897 2HB ALA 120 HB3 ALA 120 -19.721 9.107 -18.778 898 3HB ALA 120 HB2 ALA 120 -19.095 7.598 -19.443 899 H GLY 121 HN GLY 121 -17.527 9.028 -19.557 900 1HA GLY 121 HA2 GLY 121 -15.641 10.283 -20.135 901 2HA GLY 121 HA1 GLY 121 -15.930 11.129 -18.617 902 H GLU 122 HN GLU 122 -15.326 7.692 -18.509 903 HA GLU 122 HA GLU 122 -13.546 6.443 -17.646 904 1HB GLU 122 HB2 GLU 122 -12.313 7.445 -19.571 905 2HB GLU 122 HB1 GLU 122 -11.853 8.799 -18.539 906 1HG GLU 122 HG2 GLU 122 -11.297 6.064 -17.499 907 2HG GLU 122 HG1 GLU 122 -10.290 6.632 -18.831 No H/Q in entry = 907 Start of MODEL 19 Raw file had 930 H/Q atoms Start of MODEL 19 1 1H SER 1 HT2 SER 1 -21.456 0.220 0.987 2 2H SER 1 HT1 SER 1 -20.644 -0.433 -0.354 3 3H SER 1 HT3 SER 1 -22.067 0.460 -0.579 4 HA SER 1 HA SER 1 -23.431 -1.214 0.133 5 1HB SER 1 HB2 SER 1 -21.222 -3.048 -0.687 6 2HB SER 1 HB1 SER 1 -22.900 -3.008 -1.218 7 HG SER 1 HG SER 1 -20.849 -2.042 -2.479 8 H VAL 2 HN VAL 2 -23.979 -2.168 2.017 9 HA VAL 2 HA VAL 2 -23.766 -3.558 3.921 10 HB VAL 2 HB VAL 2 -20.776 -3.622 3.522 11 1HG1 VAL 2 HG13 VAL 2 -22.808 -5.554 4.681 12 2HG1 VAL 2 HG12 VAL 2 -21.074 -5.858 4.568 13 3HG1 VAL 2 HG11 VAL 2 -21.678 -4.562 5.601 14 1HG2 VAL 2 HG23 VAL 2 -22.705 -4.463 1.615 15 2HG2 VAL 2 HG22 VAL 2 -20.975 -4.809 1.617 16 3HG2 VAL 2 HG21 VAL 2 -22.099 -5.922 2.397 17 H GLY 3 HN GLY 3 -20.841 -1.481 3.667 18 1HA GLY 3 HA2 GLY 3 -20.968 0.683 4.973 19 2HA GLY 3 HA1 GLY 3 -21.682 -0.273 6.273 20 H THR 4 HN THR 4 -20.301 -1.929 7.285 21 HA THR 4 HA THR 4 -17.509 -0.986 7.462 22 HB THR 4 HB THR 4 -18.817 -1.498 9.527 23 HG1 THR 4 HG1 THR 4 -16.825 -1.801 10.115 24 1HG2 THR 4 HG22 THR 4 -19.791 -3.615 8.148 25 2HG2 THR 4 HG21 THR 4 -18.521 -4.416 9.073 26 3HG2 THR 4 HG23 THR 4 -19.797 -3.529 9.909 27 H SER 5 HN SER 5 -18.230 -2.260 4.995 28 HA SER 5 HA SER 5 -17.739 -4.978 4.727 29 1HB SER 5 HB2 SER 5 -16.540 -2.838 2.945 30 2HB SER 5 HB1 SER 5 -16.881 -4.508 2.499 31 HG SER 5 HG SER 5 -19.003 -4.090 2.509 32 H CYS 6 HN CYS 6 -15.650 -6.082 4.054 33 HA CYS 6 HA CYS 6 -13.447 -6.702 4.564 34 1HB CYS 6 HB2 CYS 6 -13.095 -3.699 4.809 35 2HB CYS 6 HB1 CYS 6 -11.791 -4.877 4.665 36 H ILE 7 HN ILE 7 -13.307 -7.737 6.503 37 HA ILE 7 HA ILE 7 -13.640 -6.152 9.001 38 HB ILE 7 HB ILE 7 -13.134 -9.001 9.385 39 1HG1 ILE 7 HG12 ILE 7 -15.586 -9.458 8.447 40 2HG1 ILE 7 HG11 ILE 7 -15.154 -8.160 7.335 41 1HG2 ILE 7 HG21 ILE 7 -14.754 -6.862 10.415 42 2HG2 ILE 7 HG23 ILE 7 -15.788 -8.249 10.071 43 3HG2 ILE 7 HG22 ILE 7 -14.404 -8.427 11.149 44 1HD1 ILE 7 HD13 ILE 7 -12.915 -9.547 7.086 45 2HD1 ILE 7 HD12 ILE 7 -13.930 -10.878 7.645 46 3HD1 ILE 7 HD11 ILE 7 -14.352 -10.006 6.171 47 HA PRO 8 HA PRO 8 -9.321 -6.232 9.729 48 1HB PRO 8 HB2 PRO 8 -9.281 -6.214 12.482 49 2HB PRO 8 HB1 PRO 8 -9.693 -4.801 11.493 50 1HG PRO 8 HG2 PRO 8 -11.493 -6.566 13.081 51 2HG PRO 8 HG1 PRO 8 -11.713 -4.873 12.609 52 1HD PRO 8 HD2 PRO 8 -12.933 -7.117 11.387 53 2HD PRO 8 HD1 PRO 8 -12.902 -5.463 10.740 54 H GLY 9 HN GLY 9 -7.543 -7.630 10.500 55 1HA GLY 9 HA2 GLY 9 -6.555 -9.687 11.012 56 2HA GLY 9 HA1 GLY 9 -7.949 -10.004 12.041 57 H MET 10 HN MET 10 -8.893 -9.264 8.882 58 HA MET 10 HA MET 10 -8.902 -12.130 8.059 59 1HB MET 10 HB2 MET 10 -11.281 -10.250 8.022 60 2HB MET 10 HB1 MET 10 -11.259 -11.869 7.322 61 1HG MET 10 HG2 MET 10 -10.276 -11.971 10.032 62 2HG MET 10 HG1 MET 10 -11.847 -11.171 9.999 63 1HE MET 10 HE1 MET 10 -10.049 -13.792 10.591 64 2HE MET 10 HE3 MET 10 -11.418 -14.755 11.159 65 3HE MET 10 HE2 MET 10 -10.514 -15.259 9.733 66 H ALA 11 HN ALA 11 -7.524 -11.865 6.160 67 HA ALA 11 HA ALA 11 -7.220 -11.308 3.878 68 1HB ALA 11 HB3 ALA 11 -9.760 -10.659 3.968 69 2HB ALA 11 HB2 ALA 11 -9.152 -9.011 4.132 70 3HB ALA 11 HB1 ALA 11 -8.746 -9.964 2.704 71 H ILE 12 HN ILE 12 -7.959 -8.395 5.812 72 HA ILE 12 HA ILE 12 -5.331 -7.272 5.006 73 HB ILE 12 HB ILE 12 -7.803 -6.016 6.227 74 1HG1 ILE 12 HG12 ILE 12 -6.611 -4.918 3.767 75 2HG1 ILE 12 HG11 ILE 12 -7.180 -6.579 3.595 76 1HG2 ILE 12 HG23 ILE 12 -5.093 -4.795 5.618 77 2HG2 ILE 12 HG22 ILE 12 -6.539 -3.871 6.026 78 3HG2 ILE 12 HG21 ILE 12 -5.831 -4.968 7.211 79 1HD1 ILE 12 HD11 ILE 12 -9.115 -5.064 5.095 80 2HD1 ILE 12 HD13 ILE 12 -8.743 -4.214 3.595 81 3HD1 ILE 12 HD12 ILE 12 -9.317 -5.880 3.546 82 HA PRO 13 HA PRO 13 -4.571 -8.678 9.261 83 1HB PRO 13 HB2 PRO 13 -1.869 -9.073 8.964 84 2HB PRO 13 HB1 PRO 13 -3.101 -10.260 8.510 85 1HG PRO 13 HG2 PRO 13 -1.400 -8.585 6.759 86 2HG PRO 13 HG1 PRO 13 -2.285 -10.068 6.369 87 1HD PRO 13 HD2 PRO 13 -3.036 -7.364 5.768 88 2HD PRO 13 HD1 PRO 13 -3.968 -8.843 5.418 89 H HIS 14 HN HIS 14 -2.918 -7.966 10.961 90 HA HIS 14 HA HIS 14 -2.901 -5.087 11.099 91 1HB HIS 14 HB2 HIS 14 -1.589 -7.174 12.882 92 2HB HIS 14 HB1 HIS 14 -1.943 -5.512 13.314 93 HD1 HIS 14 HD1 HIS 14 -4.285 -4.963 14.110 94 HD2 HIS 14 HD2 HIS 14 -4.005 -8.774 12.448 95 HE1 HIS 14 HE1 HIS 14 -6.512 -6.097 14.530 96 H ASN 15 HN ASN 15 -0.967 -3.715 11.111 97 HA ASN 15 HA ASN 15 1.128 -3.064 10.307 98 1HB ASN 15 HB2 ASN 15 1.537 -5.082 12.121 99 2HB ASN 15 HB1 ASN 15 2.370 -5.706 10.696 100 1HD2 ASN 15 HD22 ASN 15 5.139 -3.718 11.601 101 2HD2 ASN 15 HD21 ASN 15 4.548 -5.274 11.273 102 HA PRO 16 HA PRO 16 0.458 -5.708 6.462 103 1HB PRO 16 HB2 PRO 16 -1.195 -4.005 5.090 104 2HB PRO 16 HB1 PRO 16 -1.792 -5.289 6.157 105 1HG PRO 16 HG2 PRO 16 -1.680 -2.340 6.641 106 2HG PRO 16 HG1 PRO 16 -2.815 -3.541 7.280 107 1HD PRO 16 HD2 PRO 16 -0.639 -2.448 8.698 108 2HD PRO 16 HD1 PRO 16 -1.539 -3.918 9.127 109 H LEU 17 HN LEU 17 0.640 -4.652 4.078 110 HA LEU 17 HA LEU 17 2.164 -3.620 2.621 111 1HB LEU 17 HB2 LEU 17 1.175 -1.434 4.436 112 2HB LEU 17 HB1 LEU 17 2.348 -1.079 3.167 113 HG LEU 17 HG LEU 17 -0.007 -0.751 2.408 114 1HD1 LEU 17 HD12 LEU 17 1.933 -1.538 0.914 115 2HD1 LEU 17 HD11 LEU 17 1.202 -3.140 1.009 116 3HD1 LEU 17 HD13 LEU 17 0.301 -1.798 0.300 117 1HD2 LEU 17 HD22 LEU 17 -0.908 -2.628 3.852 118 2HD2 LEU 17 HD21 LEU 17 -1.487 -2.646 2.186 119 3HD2 LEU 17 HD23 LEU 17 -0.219 -3.762 2.690 120 H ASP 18 HN ASP 18 3.536 -5.025 4.685 121 HA ASP 18 HA ASP 18 5.612 -3.228 5.724 122 1HB ASP 18 HB2 ASP 18 6.525 -5.139 6.815 123 2HB ASP 18 HB1 ASP 18 4.776 -5.357 6.890 124 H SER 19 HN SER 19 5.422 -5.828 3.323 125 HA SER 19 HA SER 19 8.118 -5.663 2.406 126 1HB SER 19 HB2 SER 19 5.902 -7.205 1.779 127 2HB SER 19 HB1 SER 19 6.144 -6.256 0.315 128 HG SER 19 HG SER 19 7.923 -7.320 -0.057 129 H CYS 20 HN CYS 20 5.300 -3.704 1.836 130 HA CYS 20 HA CYS 20 6.335 -2.356 -0.517 131 1HB CYS 20 HB2 CYS 20 4.158 -1.550 1.427 132 2HB CYS 20 HB1 CYS 20 4.472 -0.778 -0.126 133 H ARG 21 HN ARG 21 6.421 -1.804 2.969 134 HA ARG 21 HA ARG 21 7.501 0.852 2.825 135 1HB ARG 21 HB2 ARG 21 6.963 0.678 5.002 136 2HB ARG 21 HB1 ARG 21 6.839 -1.071 4.888 137 1HG ARG 21 HG2 ARG 21 8.524 -0.592 6.532 138 2HG ARG 21 HG1 ARG 21 9.375 -1.151 5.094 139 1HD ARG 21 HD2 ARG 21 10.018 1.062 4.489 140 2HD ARG 21 HD1 ARG 21 8.874 1.781 5.622 141 HE ARG 21 HE ARG 21 11.525 0.738 6.288 142 1HH1 ARG 21 HH21 ARG 21 9.933 -0.684 8.250 143 2HH1 ARG 21 HH22 ARG 21 9.695 0.476 9.515 144 1HH2 ARG 21 HH11 ARG 21 10.536 3.196 7.538 145 2HH2 ARG 21 HH12 ARG 21 10.036 2.673 9.111 146 H TRP 22 HN TRP 22 9.078 -2.349 3.287 147 HA TRP 22 HA TRP 22 11.727 -1.198 3.169 148 1HB TRP 22 HB2 TRP 22 10.764 -4.040 2.977 149 2HB TRP 22 HB1 TRP 22 12.440 -3.615 2.677 150 HD1 TRP 22 HD1 TRP 22 10.428 -4.713 5.390 151 HE1 TRP 22 HE1 TRP 22 11.410 -4.003 7.678 152 HE3 TRP 22 HE3 TRP 22 13.678 -1.293 3.778 153 HZ2 TRP 22 HZ2 TRP 22 13.397 -2.138 8.660 154 HZ3 TRP 22 HZ3 TRP 22 15.142 -0.013 5.352 155 HH2 TRP 22 HH2 TRP 22 15.000 -0.446 7.796 156 H TYR 23 HN TYR 23 9.443 -2.350 0.792 157 HA TYR 23 HA TYR 23 11.322 -2.672 -1.360 158 1HB TYR 23 HB2 TYR 23 9.025 -3.611 -1.421 159 2HB TYR 23 HB1 TYR 23 8.374 -1.977 -1.559 160 HD1 TYR 23 HD1 TYR 23 11.314 -3.723 -3.104 161 HD2 TYR 23 HD2 TYR 23 7.646 -1.580 -3.746 162 HE1 TYR 23 HE1 TYR 23 11.703 -3.791 -5.552 163 HE2 TYR 23 HE2 TYR 23 8.038 -1.647 -6.195 164 HH TYR 23 HH TYR 23 9.377 -2.325 -7.826 165 H VAL 24 HN VAL 24 9.548 0.140 -0.084 166 HA VAL 24 HA VAL 24 10.393 1.841 -2.300 167 HB VAL 24 HB VAL 24 9.400 2.566 0.465 168 1HG1 VAL 24 HG13 VAL 24 9.937 4.306 -1.962 169 2HG1 VAL 24 HG12 VAL 24 9.194 4.854 -0.459 170 3HG1 VAL 24 HG11 VAL 24 10.871 4.309 -0.467 171 1HG2 VAL 24 HG21 VAL 24 8.139 2.078 -2.194 172 2HG2 VAL 24 HG23 VAL 24 7.489 1.796 -0.579 173 3HG2 VAL 24 HG22 VAL 24 7.508 3.428 -1.250 174 H SER 25 HN SER 25 11.532 1.138 0.991 175 HA SER 25 HA SER 25 13.579 3.067 1.133 176 1HB SER 25 HB2 SER 25 14.734 1.470 2.654 177 2HB SER 25 HB1 SER 25 13.026 1.669 3.044 178 HG SER 25 HG SER 25 14.177 -0.406 1.477 179 H THR 26 HN THR 26 13.528 -0.108 -0.459 180 HA THR 26 HA THR 26 16.340 -0.008 -1.214 181 HB THR 26 HB THR 26 14.033 -1.823 -1.913 182 HG1 THR 26 HG1 THR 26 15.406 -3.290 -0.828 183 1HG2 THR 26 HG23 THR 26 16.836 -1.837 -3.064 184 2HG2 THR 26 HG22 THR 26 15.744 -3.220 -3.131 185 3HG2 THR 26 HG21 THR 26 15.319 -1.720 -3.955 186 H ARG 27 HN ARG 27 13.330 0.184 -3.176 187 HA ARG 27 HA ARG 27 14.609 0.769 -5.632 188 1HB ARG 27 HB2 ARG 27 11.869 1.271 -4.533 189 2HB ARG 27 HB1 ARG 27 12.325 2.042 -6.050 190 1HG ARG 27 HG2 ARG 27 12.372 -0.929 -5.445 191 2HG ARG 27 HG1 ARG 27 11.273 -0.095 -6.542 192 1HD ARG 27 HD2 ARG 27 14.200 -0.677 -6.887 193 2HD ARG 27 HD1 ARG 27 12.876 -0.928 -8.021 194 HE ARG 27 HE ARG 27 12.939 1.797 -7.768 195 1HH1 ARG 27 HH11 ARG 27 15.871 1.232 -7.031 196 2HH1 ARG 27 HH12 ARG 27 16.631 1.430 -8.575 197 1HH2 ARG 27 HH21 ARG 27 13.660 1.250 -10.354 198 2HH2 ARG 27 HH22 ARG 27 15.379 1.441 -10.458 199 H THR 28 HN THR 28 13.985 2.824 -2.889 200 HA THR 28 HA THR 28 14.545 5.256 -4.472 201 HB THR 28 HB THR 28 13.924 6.449 -2.389 202 HG1 THR 28 HG1 THR 28 12.995 4.910 -0.766 203 1HG2 THR 28 HG22 THR 28 12.240 5.504 -4.087 204 2HG2 THR 28 HG21 THR 28 11.922 4.255 -2.884 205 3HG2 THR 28 HG23 THR 28 11.617 5.948 -2.498 206 H CYS 29 HN CYS 29 15.765 4.078 -1.300 207 HA CYS 29 HA CYS 29 18.308 5.501 -1.853 208 1HB CYS 29 HB2 CYS 29 17.666 4.086 0.720 209 2HB CYS 29 HB1 CYS 29 18.676 5.507 0.459 210 H GLY 30 HN GLY 30 17.305 2.699 -2.822 211 1HA GLY 30 HA2 GLY 30 18.269 0.568 -3.157 212 2HA GLY 30 HA1 GLY 30 19.808 1.429 -3.058 213 H VAL 31 HN VAL 31 17.678 1.617 -0.333 214 HA VAL 31 HA VAL 31 19.588 -0.068 1.218 215 HB VAL 31 HB VAL 31 17.619 2.090 2.012 216 1HG1 VAL 31 HG11 VAL 31 19.212 0.213 3.783 217 2HG1 VAL 31 HG13 VAL 31 18.398 1.670 4.352 218 3HG1 VAL 31 HG12 VAL 31 17.455 0.333 3.693 219 1HG2 VAL 31 HG22 VAL 31 20.621 1.749 2.063 220 2HG2 VAL 31 HG21 VAL 31 19.679 3.022 1.287 221 3HG2 VAL 31 HG23 VAL 31 19.811 2.970 3.045 222 H GLY 32 HN GLY 32 18.536 -1.421 2.994 223 1HA GLY 32 HA2 GLY 32 16.209 -2.324 3.647 224 2HA GLY 32 HA1 GLY 32 16.047 -2.613 1.910 225 HA PRO 33 HA PRO 33 18.287 -6.225 4.033 226 1HB PRO 33 HB2 PRO 33 16.459 -8.209 3.399 227 2HB PRO 33 HB1 PRO 33 16.497 -7.344 4.945 228 1HG PRO 33 HG2 PRO 33 14.667 -6.947 2.602 229 2HG PRO 33 HG1 PRO 33 14.329 -6.779 4.334 230 1HD PRO 33 HD2 PRO 33 14.735 -4.639 2.666 231 2HD PRO 33 HD1 PRO 33 15.078 -4.605 4.411 232 H ARG 34 HN ARG 34 18.976 -8.310 2.705 233 HA ARG 34 HA ARG 34 19.460 -7.361 -0.047 234 1HB ARG 34 HB2 ARG 34 21.276 -8.287 1.499 235 2HB ARG 34 HB1 ARG 34 20.557 -9.874 1.221 236 1HG ARG 34 HG2 ARG 34 22.065 -9.871 -0.519 237 2HG ARG 34 HG1 ARG 34 20.722 -9.061 -1.328 238 1HD ARG 34 HD2 ARG 34 21.930 -6.942 -0.114 239 2HD ARG 34 HD1 ARG 34 23.325 -7.970 -0.441 240 HE ARG 34 HE ARG 34 21.547 -7.663 -2.740 241 1HH1 ARG 34 HH21 ARG 34 24.137 -6.320 -0.892 242 2HH1 ARG 34 HH22 ARG 34 24.837 -5.487 -2.240 243 1HH2 ARG 34 HH11 ARG 34 22.476 -6.615 -4.512 244 2HH2 ARG 34 HH12 ARG 34 23.899 -5.653 -4.285 245 H LEU 35 HN LEU 35 17.296 -7.745 -0.813 246 HA LEU 35 HA LEU 35 16.891 -10.580 -1.626 247 1HB LEU 35 HB2 LEU 35 15.357 -9.566 0.345 248 2HB LEU 35 HB1 LEU 35 14.458 -8.957 -1.047 249 HG LEU 35 HG LEU 35 14.295 -11.220 -1.966 250 1HD1 LEU 35 HD12 LEU 35 16.086 -11.836 0.373 251 2HD1 LEU 35 HD11 LEU 35 15.027 -13.087 -0.283 252 3HD1 LEU 35 HD13 LEU 35 16.249 -12.338 -1.311 253 1HD2 LEU 35 HD21 LEU 35 12.633 -10.382 -0.251 254 2HD2 LEU 35 HD23 LEU 35 12.759 -12.139 -0.344 255 3HD2 LEU 35 HD22 LEU 35 13.547 -11.266 0.971 256 H ALA 36 HN ALA 36 16.351 -10.722 -3.807 257 HA ALA 36 HA ALA 36 16.785 -8.634 -5.578 258 1HB ALA 36 HB2 ALA 36 14.844 -10.944 -5.881 259 2HB ALA 36 HB1 ALA 36 15.360 -9.902 -7.207 260 3HB ALA 36 HB3 ALA 36 16.537 -10.918 -6.375 261 H THR 37 HN THR 37 15.280 -7.207 -6.770 262 HA THR 37 HA THR 37 13.277 -6.042 -5.025 263 HB THR 37 HB THR 37 12.820 -4.828 -7.391 264 HG1 THR 37 HG1 THR 37 14.367 -5.170 -8.771 265 1HG2 THR 37 HG22 THR 37 14.522 -4.414 -5.084 266 2HG2 THR 37 HG21 THR 37 15.254 -3.712 -6.528 267 3HG2 THR 37 HG23 THR 37 13.632 -3.225 -6.035 268 H GLN 38 HN GLN 38 13.035 -7.597 -8.254 269 HA GLN 38 HA GLN 38 10.292 -7.603 -8.579 270 1HB GLN 38 HB2 GLN 38 11.979 -10.073 -9.061 271 2HB GLN 38 HB1 GLN 38 10.518 -9.587 -9.922 272 1HG GLN 38 HG2 GLN 38 11.797 -8.467 -11.392 273 2HG GLN 38 HG1 GLN 38 12.311 -7.399 -10.085 274 1HE2 GLN 38 HE22 GLN 38 15.599 -8.616 -10.303 275 2HE2 GLN 38 HE21 GLN 38 14.559 -7.298 -10.056 276 H GLU 39 HN GLU 39 12.149 -9.627 -6.355 277 HA GLU 39 HA GLU 39 9.985 -11.356 -5.600 278 1HB GLU 39 HB2 GLU 39 12.534 -10.492 -4.220 279 2HB GLU 39 HB1 GLU 39 11.381 -11.575 -3.439 280 1HG GLU 39 HG2 GLU 39 12.145 -12.258 -6.229 281 2HG GLU 39 HG1 GLU 39 13.392 -12.474 -5.001 282 H MET 40 HN MET 40 11.294 -8.402 -4.068 283 HA MET 40 HA MET 40 9.398 -8.146 -1.989 284 1HB MET 40 HB2 MET 40 11.500 -6.699 -2.602 285 2HB MET 40 HB1 MET 40 10.351 -5.746 -3.533 286 1HG MET 40 HG2 MET 40 10.497 -4.771 -1.325 287 2HG MET 40 HG1 MET 40 8.927 -5.562 -1.473 288 1HE MET 40 HE1 MET 40 10.361 -4.543 0.921 289 2HE MET 40 HE3 MET 40 10.838 -5.742 2.131 290 3HE MET 40 HE2 MET 40 11.987 -5.220 0.902 291 H LYS 41 HN LYS 41 9.351 -6.467 -5.134 292 HA LYS 41 HA LYS 41 6.809 -5.357 -5.065 293 1HB LYS 41 HB2 LYS 41 8.340 -5.082 -6.982 294 2HB LYS 41 HB1 LYS 41 8.082 -6.767 -7.433 295 1HG LYS 41 HG2 LYS 41 5.586 -6.194 -7.552 296 2HG LYS 41 HG1 LYS 41 6.081 -4.502 -7.477 297 1HD LYS 41 HD2 LYS 41 6.141 -4.738 -9.757 298 2HD LYS 41 HD1 LYS 41 7.754 -5.363 -9.412 299 1HE LYS 41 HE2 LYS 41 6.748 -7.668 -9.260 300 2HE LYS 41 HE1 LYS 41 5.224 -6.979 -9.821 301 1HZ LYS 41 HZ2 LYS 41 7.751 -6.616 -11.315 302 2HZ LYS 41 HZ1 LYS 41 6.746 -7.965 -11.564 303 3HZ LYS 41 HZ3 LYS 41 6.158 -6.403 -11.868 304 H ALA 42 HN ALA 42 7.691 -8.730 -5.606 305 HA ALA 42 HA ALA 42 5.105 -9.693 -6.353 306 1HB ALA 42 HB3 ALA 42 7.677 -10.808 -5.689 307 2HB ALA 42 HB2 ALA 42 6.413 -11.706 -4.847 308 3HB ALA 42 HB1 ALA 42 6.361 -11.546 -6.603 309 H ARG 43 HN ARG 43 6.732 -9.536 -3.178 310 HA ARG 43 HA ARG 43 4.657 -10.617 -1.606 311 1HB ARG 43 HB2 ARG 43 6.890 -8.698 -1.097 312 2HB ARG 43 HB1 ARG 43 5.634 -8.850 0.132 313 1HG ARG 43 HG2 ARG 43 6.207 -11.011 0.651 314 2HG ARG 43 HG1 ARG 43 6.712 -11.383 -0.997 315 1HD ARG 43 HD2 ARG 43 8.801 -10.268 -0.716 316 2HD ARG 43 HD1 ARG 43 8.273 -9.503 0.783 317 HE ARG 43 HE ARG 43 8.785 -12.441 0.529 318 1HH1 ARG 43 HH21 ARG 43 7.380 -12.089 2.952 319 2HH1 ARG 43 HH22 ARG 43 8.571 -11.606 4.113 320 1HH2 ARG 43 HH11 ARG 43 10.904 -10.680 1.718 321 2HH2 ARG 43 HH12 ARG 43 10.569 -10.806 3.414 322 H CYS 44 HN CYS 44 5.252 -7.162 -2.375 323 HA CYS 44 HA CYS 44 2.972 -6.123 -1.073 324 1HB CYS 44 HB2 CYS 44 4.538 -5.200 -3.468 325 2HB CYS 44 HB1 CYS 44 3.096 -4.330 -2.941 326 H CYS 45 HN CYS 45 3.269 -7.612 -4.295 327 HA CYS 45 HA CYS 45 0.597 -6.901 -5.127 328 1HB CYS 45 HB2 CYS 45 2.391 -9.169 -6.046 329 2HB CYS 45 HB1 CYS 45 0.891 -8.690 -6.829 330 H ARG 46 HN ARG 46 1.932 -9.487 -3.181 331 HA ARG 46 HA ARG 46 -0.437 -11.163 -3.288 332 1HB ARG 46 HB2 ARG 46 1.998 -11.743 -2.507 333 2HB ARG 46 HB1 ARG 46 1.455 -11.135 -0.951 334 1HG ARG 46 HG2 ARG 46 0.102 -12.914 -0.573 335 2HG ARG 46 HG1 ARG 46 -0.448 -12.971 -2.248 336 1HD ARG 46 HD2 ARG 46 0.964 -14.666 -2.678 337 2HD ARG 46 HD1 ARG 46 2.333 -13.680 -2.165 338 HE ARG 46 HE ARG 46 0.800 -14.864 0.039 339 1HH1 ARG 46 HH11 ARG 46 2.963 -15.750 -2.443 340 2HH1 ARG 46 HH12 ARG 46 4.043 -16.615 -1.402 341 1HH2 ARG 46 HH21 ARG 46 2.374 -15.723 1.506 342 2HH2 ARG 46 HH22 ARG 46 3.709 -16.600 0.838 343 H GLN 47 HN GLN 47 0.676 -8.468 -1.343 344 HA GLN 47 HA GLN 47 -1.419 -8.755 0.672 345 1HB GLN 47 HB2 GLN 47 0.100 -6.214 0.071 346 2HB GLN 47 HB1 GLN 47 -0.567 -6.752 1.613 347 1HG GLN 47 HG2 GLN 47 1.265 -8.737 0.589 348 2HG GLN 47 HG1 GLN 47 2.059 -7.163 0.659 349 1HE2 GLN 47 HE22 GLN 47 2.658 -8.084 4.061 350 2HE2 GLN 47 HE21 GLN 47 3.357 -7.995 2.517 351 H LEU 48 HN LEU 48 -0.987 -6.885 -2.305 352 HA LEU 48 HA LEU 48 -3.391 -5.308 -1.966 353 1HB LEU 48 HB2 LEU 48 -1.425 -4.733 -3.473 354 2HB LEU 48 HB1 LEU 48 -2.008 -5.979 -4.575 355 HG LEU 48 HG LEU 48 -4.040 -4.032 -3.643 356 1HD1 LEU 48 HD12 LEU 48 -1.698 -2.876 -4.266 357 2HD1 LEU 48 HD11 LEU 48 -2.317 -3.119 -5.900 358 3HD1 LEU 48 HD13 LEU 48 -3.243 -2.168 -4.738 359 1HD2 LEU 48 HD23 LEU 48 -3.806 -5.991 -5.604 360 2HD2 LEU 48 HD22 LEU 48 -5.082 -4.777 -5.508 361 3HD2 LEU 48 HD21 LEU 48 -3.658 -4.484 -6.507 362 H GLU 49 HN GLU 49 -2.618 -8.382 -3.546 363 HA GLU 49 HA GLU 49 -5.228 -8.677 -4.777 364 1HB GLU 49 HB2 GLU 49 -2.917 -9.926 -5.236 365 2HB GLU 49 HB1 GLU 49 -3.551 -11.057 -4.042 366 1HG GLU 49 HG2 GLU 49 -4.957 -11.945 -5.556 367 2HG GLU 49 HG1 GLU 49 -5.627 -10.354 -5.918 368 H ALA 50 HN ALA 50 -3.707 -10.267 -1.922 369 HA ALA 50 HA ALA 50 -5.934 -11.647 -0.936 370 1HB ALA 50 HB2 ALA 50 -3.485 -10.537 0.210 371 2HB ALA 50 HB1 ALA 50 -4.828 -10.453 1.351 372 3HB ALA 50 HB3 ALA 50 -4.353 -12.004 0.658 373 H ILE 51 HN ILE 51 -5.034 -8.260 -0.456 374 HA ILE 51 HA ILE 51 -7.392 -7.436 0.948 375 HB ILE 51 HB ILE 51 -5.471 -5.923 -0.850 376 1HG1 ILE 51 HG12 ILE 51 -5.781 -5.830 2.161 377 2HG1 ILE 51 HG11 ILE 51 -4.662 -6.930 1.355 378 1HG2 ILE 51 HG21 ILE 51 -7.889 -5.052 0.707 379 2HG2 ILE 51 HG23 ILE 51 -6.522 -3.951 0.533 380 3HG2 ILE 51 HG22 ILE 51 -7.360 -4.550 -0.899 381 1HD1 ILE 51 HD11 ILE 51 -3.755 -4.840 0.151 382 2HD1 ILE 51 HD13 ILE 51 -4.629 -3.911 1.370 383 3HD1 ILE 51 HD12 ILE 51 -3.349 -5.023 1.857 384 HA PRO 52 HA PRO 52 -9.851 -8.351 -2.700 385 1HB PRO 52 HB2 PRO 52 -12.273 -7.762 -1.495 386 2HB PRO 52 HB1 PRO 52 -11.448 -9.329 -1.389 387 1HG PRO 52 HG2 PRO 52 -11.566 -7.118 0.640 388 2HG PRO 52 HG1 PRO 52 -11.512 -8.872 0.894 389 1HD PRO 52 HD2 PRO 52 -9.310 -7.229 1.201 390 2HD PRO 52 HD1 PRO 52 -9.197 -8.950 0.771 391 H ALA 53 HN ALA 53 -10.614 -7.059 -4.311 392 HA ALA 53 HA ALA 53 -9.917 -4.522 -4.790 393 1HB ALA 53 HB3 ALA 53 -11.888 -6.235 -5.839 394 2HB ALA 53 HB2 ALA 53 -12.671 -4.671 -5.607 395 3HB ALA 53 HB1 ALA 53 -11.212 -4.790 -6.591 396 H TYR 54 HN TYR 54 -12.628 -5.370 -2.684 397 HA TYR 54 HA TYR 54 -13.465 -2.608 -2.316 398 1HB TYR 54 HB2 TYR 54 -14.127 -5.245 -1.052 399 2HB TYR 54 HB1 TYR 54 -14.552 -3.766 -0.191 400 HD1 TYR 54 HD2 TYR 54 -15.467 -1.864 -2.015 401 HD2 TYR 54 HD1 TYR 54 -15.886 -6.131 -2.286 402 HE1 TYR 54 HE2 TYR 54 -17.448 -1.577 -3.480 403 HE2 TYR 54 HE1 TYR 54 -17.867 -5.843 -3.750 404 HH TYR 54 HH TYR 54 -19.363 -2.753 -4.231 405 H CYS 55 HN CYS 55 -12.554 -1.140 -0.940 406 HA CYS 55 HA CYS 55 -11.398 -0.312 0.948 407 1HB CYS 55 HB2 CYS 55 -10.692 -3.138 1.725 408 2HB CYS 55 HB1 CYS 55 -10.872 -1.723 2.759 409 H ARG 56 HN ARG 56 -10.122 -1.994 -1.635 410 HA ARG 56 HA ARG 56 -7.474 -2.599 -1.112 411 1HB ARG 56 HB2 ARG 56 -8.611 -1.036 -3.447 412 2HB ARG 56 HB1 ARG 56 -6.946 -1.613 -3.395 413 1HG ARG 56 HG2 ARG 56 -9.100 -3.594 -2.805 414 2HG ARG 56 HG1 ARG 56 -8.912 -3.063 -4.479 415 1HD ARG 56 HD2 ARG 56 -6.353 -3.519 -4.021 416 2HD ARG 56 HD1 ARG 56 -6.977 -4.562 -2.743 417 HE ARG 56 HE ARG 56 -7.466 -6.102 -4.455 418 1HH1 ARG 56 HH11 ARG 56 -6.525 -3.302 -6.017 419 2HH1 ARG 56 HH12 ARG 56 -7.484 -3.557 -7.437 420 1HH2 ARG 56 HH21 ARG 56 -9.219 -6.246 -6.105 421 2HH2 ARG 56 HH22 ARG 56 -9.010 -5.222 -7.486 422 H CYS 57 HN CYS 57 -7.778 0.502 -2.726 423 HA CYS 57 HA CYS 57 -5.666 1.936 -2.040 424 1HB CYS 57 HB2 CYS 57 -8.233 3.280 -1.229 425 2HB CYS 57 HB1 CYS 57 -6.859 3.953 -2.100 426 H GLU 58 HN GLU 58 -8.289 1.747 0.428 427 HA GLU 58 HA GLU 58 -7.350 3.084 2.550 428 1HB GLU 58 HB2 GLU 58 -8.108 0.163 2.807 429 2HB GLU 58 HB1 GLU 58 -8.268 1.413 4.041 430 1HG GLU 58 HG2 GLU 58 -9.576 2.322 1.658 431 2HG GLU 58 HG1 GLU 58 -10.154 0.698 2.031 432 H ALA 59 HN ALA 59 -6.174 -0.255 1.990 433 HA ALA 59 HA ALA 59 -4.278 -0.685 3.819 434 1HB ALA 59 HB3 ALA 59 -4.650 -1.632 1.267 435 2HB ALA 59 HB2 ALA 59 -3.031 -0.938 1.177 436 3HB ALA 59 HB1 ALA 59 -3.393 -2.181 2.374 437 H VAL 60 HN VAL 60 -3.472 1.337 0.996 438 HA VAL 60 HA VAL 60 -0.919 2.162 1.892 439 HB VAL 60 HB VAL 60 -2.897 3.862 0.345 440 1HG1 VAL 60 HG12 VAL 60 -0.102 4.144 1.132 441 2HG1 VAL 60 HG11 VAL 60 -0.304 4.218 -0.618 442 3HG1 VAL 60 HG13 VAL 60 -1.188 5.336 0.419 443 1HG2 VAL 60 HG23 VAL 60 -0.966 1.707 -0.566 444 2HG2 VAL 60 HG22 VAL 60 -2.722 1.693 -0.732 445 3HG2 VAL 60 HG21 VAL 60 -1.759 2.844 -1.657 446 H ARG 61 HN ARG 61 -4.039 3.859 2.312 447 HA ARG 61 HA ARG 61 -3.090 5.979 3.919 448 1HB ARG 61 HB2 ARG 61 -5.747 4.591 3.679 449 2HB ARG 61 HB1 ARG 61 -5.512 5.844 4.899 450 1HG ARG 61 HG2 ARG 61 -4.677 6.361 2.058 451 2HG ARG 61 HG1 ARG 61 -6.374 6.520 2.513 452 1HD ARG 61 HD2 ARG 61 -5.814 8.147 4.231 453 2HD ARG 61 HD1 ARG 61 -4.090 7.911 3.940 454 HE ARG 61 HE ARG 61 -4.274 9.283 2.018 455 1HH1 ARG 61 HH21 ARG 61 -6.376 8.143 0.452 456 2HH1 ARG 61 HH22 ARG 61 -7.700 9.248 0.617 457 1HH2 ARG 61 HH11 ARG 61 -6.403 10.792 3.436 458 2HH2 ARG 61 HH12 ARG 61 -7.715 10.747 2.306 459 H ILE 62 HN ILE 62 -3.697 2.636 4.750 460 HA ILE 62 HA ILE 62 -3.695 3.103 7.636 461 HB ILE 62 HB ILE 62 -3.214 0.470 6.236 462 1HG1 ILE 62 HG12 ILE 62 -5.203 1.649 5.258 463 2HG1 ILE 62 HG11 ILE 62 -5.632 0.177 6.129 464 1HG2 ILE 62 HG23 ILE 62 -3.339 1.240 8.906 465 2HG2 ILE 62 HG22 ILE 62 -4.948 0.592 8.581 466 3HG2 ILE 62 HG21 ILE 62 -3.519 -0.402 8.292 467 1HD1 ILE 62 HD12 ILE 62 -5.580 2.726 7.682 468 2HD1 ILE 62 HD11 ILE 62 -6.918 2.483 6.559 469 3HD1 ILE 62 HD13 ILE 62 -6.636 1.325 7.859 470 H LEU 63 HN LEU 63 -1.271 2.353 5.198 471 HA LEU 63 HA LEU 63 0.728 1.617 7.191 472 1HB LEU 63 HB2 LEU 63 0.867 0.782 4.856 473 2HB LEU 63 HB1 LEU 63 1.087 2.438 4.290 474 HG LEU 63 HG LEU 63 2.920 1.519 6.447 475 1HD1 LEU 63 HD13 LEU 63 3.150 0.577 3.572 476 2HD1 LEU 63 HD12 LEU 63 4.405 0.409 4.800 477 3HD1 LEU 63 HD11 LEU 63 2.875 -0.449 4.980 478 1HD2 LEU 63 HD22 LEU 63 3.274 3.083 3.868 479 2HD2 LEU 63 HD21 LEU 63 3.064 3.779 5.475 480 3HD2 LEU 63 HD23 LEU 63 4.517 2.854 5.098 481 H MET 64 HN MET 64 0.169 4.479 5.127 482 HA MET 64 HA MET 64 2.239 5.987 6.530 483 1HB MET 64 HB2 MET 64 1.392 6.300 4.084 484 2HB MET 64 HB1 MET 64 0.074 7.221 4.815 485 1HG MET 64 HG2 MET 64 2.883 7.840 5.655 486 2HG MET 64 HG1 MET 64 2.327 8.423 4.086 487 1HE MET 64 HE2 MET 64 3.341 9.524 6.789 488 2HE MET 64 HE1 MET 64 2.916 11.036 5.990 489 3HE MET 64 HE3 MET 64 2.272 10.670 7.597 490 H ASP 65 HN ASP 65 -1.352 6.083 6.454 491 HA ASP 65 HA ASP 65 -1.372 8.053 8.615 492 1HB ASP 65 HB2 ASP 65 -3.862 6.570 7.705 493 2HB ASP 65 HB1 ASP 65 -3.706 8.184 8.381 494 H GLY 66 HN GLY 66 -1.280 4.591 8.414 495 1HA GLY 66 HA2 GLY 66 -0.792 3.329 10.425 496 2HA GLY 66 HA1 GLY 66 -1.668 4.533 11.358 497 H VAL 67 HN VAL 67 -2.138 1.827 11.597 498 HA VAL 67 HA VAL 67 -4.823 1.388 10.378 499 HB VAL 67 HB VAL 67 -2.854 -0.310 10.035 500 1HG1 VAL 67 HG12 VAL 67 -2.529 -0.178 12.676 501 2HG1 VAL 67 HG11 VAL 67 -3.725 -1.474 12.639 502 3HG1 VAL 67 HG13 VAL 67 -2.197 -1.658 11.779 503 1HG2 VAL 67 HG21 VAL 67 -5.702 -0.662 10.541 504 2HG2 VAL 67 HG23 VAL 67 -4.686 -1.424 9.317 505 3HG2 VAL 67 HG22 VAL 67 -4.792 -2.120 10.934 506 H VAL 68 HN VAL 68 -6.486 0.522 11.852 507 HA VAL 68 HA VAL 68 -5.845 1.059 14.716 508 HB VAL 68 HB VAL 68 -8.317 1.726 13.125 509 1HG1 VAL 68 HG12 VAL 68 -8.043 1.523 16.145 510 2HG1 VAL 68 HG11 VAL 68 -9.401 2.275 15.308 511 3HG1 VAL 68 HG13 VAL 68 -9.103 0.545 15.130 512 1HG2 VAL 68 HG22 VAL 68 -6.369 3.191 14.915 513 2HG2 VAL 68 HG21 VAL 68 -6.726 3.499 13.214 514 3HG2 VAL 68 HG23 VAL 68 -7.921 3.889 14.452 515 H THR 69 HN THR 69 -7.012 -0.214 16.264 516 HA THR 69 HA THR 69 -7.924 -2.839 15.181 517 HB THR 69 HB THR 69 -7.094 -3.818 17.324 518 HG1 THR 69 HG1 THR 69 -6.753 -1.172 17.850 519 1HG2 THR 69 HG21 THR 69 -5.472 -2.641 15.195 520 2HG2 THR 69 HG23 THR 69 -4.564 -2.892 16.685 521 3HG2 THR 69 HG22 THR 69 -5.386 -4.248 15.914 522 H SER 70 HN SER 70 -9.575 -3.898 16.500 523 HA SER 70 HA SER 70 -11.697 -2.119 17.214 524 1HB SER 70 HB2 SER 70 -11.981 -4.503 16.432 525 2HB SER 70 HB1 SER 70 -11.431 -5.022 18.022 526 HG SER 70 HG SER 70 -13.844 -4.562 17.440 527 H SER 71 HN SER 71 -9.151 -3.602 19.025 528 HA SER 71 HA SER 71 -10.283 -3.214 21.645 529 1HB SER 71 HB2 SER 71 -7.760 -3.281 22.296 530 2HB SER 71 HB1 SER 71 -8.483 -4.726 21.594 531 HG SER 71 HG SER 71 -7.316 -2.752 19.956 532 H GLY 72 HN GLY 72 -9.029 -1.056 19.321 533 1HA GLY 72 HA2 GLY 72 -9.259 1.358 19.611 534 2HA GLY 72 HA1 GLY 72 -9.065 1.117 21.352 535 H GLN 73 HN GLN 73 -6.877 -0.848 19.673 536 HA GLN 73 HA GLN 73 -4.674 0.987 20.435 537 1HB GLN 73 HB2 GLN 73 -4.799 -1.924 19.630 538 2HB GLN 73 HB1 GLN 73 -3.268 -1.064 19.799 539 1HG GLN 73 HG2 GLN 73 -3.741 -0.549 22.118 540 2HG GLN 73 HG1 GLN 73 -5.370 -1.212 21.976 541 1HE2 GLN 73 HE22 GLN 73 -2.293 -3.693 22.773 542 2HE2 GLN 73 HE21 GLN 73 -2.106 -2.007 22.725 543 H HIS 74 HN HIS 74 -2.939 1.460 18.887 544 HA HIS 74 HA HIS 74 -3.912 1.386 16.066 545 1HB HIS 74 HB2 HIS 74 -2.365 3.444 17.617 546 2HB HIS 74 HB1 HIS 74 -2.257 3.374 15.871 547 HD1 HIS 74 HD1 HIS 74 -3.575 5.497 15.357 548 HD2 HIS 74 HD2 HIS 74 -5.688 2.839 17.770 549 HE1 HIS 74 HE1 HIS 74 -5.946 6.376 15.486 550 H GLU 75 HN GLU 75 -2.270 1.081 14.466 551 HA GLU 75 HA GLU 75 0.401 0.174 15.359 552 1HB GLU 75 HB2 GLU 75 -1.267 -1.596 13.568 553 2HB GLU 75 HB1 GLU 75 0.241 -1.992 14.394 554 1HG GLU 75 HG2 GLU 75 -2.323 -1.306 15.853 555 2HG GLU 75 HG1 GLU 75 -1.837 -2.958 15.472 556 H GLY 76 HN GLY 76 1.364 -0.812 13.038 557 1HA GLY 76 HA2 GLY 76 2.238 -0.131 10.965 558 2HA GLY 76 HA1 GLY 76 0.629 0.519 10.636 559 H ARG 77 HN ARG 77 1.337 2.473 9.709 560 HA ARG 77 HA ARG 77 2.065 4.705 9.741 561 1HB ARG 77 HB2 ARG 77 0.921 4.145 12.299 562 2HB ARG 77 HB1 ARG 77 2.339 5.165 12.546 563 1HG ARG 77 HG2 ARG 77 0.940 6.159 10.265 564 2HG ARG 77 HG1 ARG 77 -0.233 5.933 11.563 565 1HD ARG 77 HD2 ARG 77 2.388 7.211 12.231 566 2HD ARG 77 HD1 ARG 77 1.179 8.176 11.385 567 HE ARG 77 HE ARG 77 0.303 6.750 13.830 568 1HH1 ARG 77 HH21 ARG 77 -1.635 8.478 13.762 569 2HH1 ARG 77 HH22 ARG 77 -1.072 10.039 14.259 570 1HH2 ARG 77 HH11 ARG 77 2.277 9.271 13.801 571 2HH2 ARG 77 HH12 ARG 77 1.141 10.487 14.282 572 H LEU 78 HN LEU 78 4.022 2.292 10.277 573 HA LEU 78 HA LEU 78 6.179 3.512 11.790 574 1HB LEU 78 HB2 LEU 78 6.074 1.069 9.997 575 2HB LEU 78 HB1 LEU 78 7.515 1.565 10.886 576 HG LEU 78 HG LEU 78 5.273 1.590 12.676 577 1HD1 LEU 78 HD11 LEU 78 4.692 -0.191 10.734 578 2HD1 LEU 78 HD13 LEU 78 5.712 -1.204 11.755 579 3HD1 LEU 78 HD12 LEU 78 4.262 -0.453 12.424 580 1HD2 LEU 78 HD23 LEU 78 7.700 1.323 13.225 581 2HD2 LEU 78 HD22 LEU 78 6.700 0.055 13.935 582 3HD2 LEU 78 HD21 LEU 78 7.657 -0.280 12.493 583 H LEU 79 HN LEU 79 5.084 3.716 8.514 584 HA LEU 79 HA LEU 79 7.403 4.167 7.035 585 1HB LEU 79 HB2 LEU 79 4.959 4.338 6.271 586 2HB LEU 79 HB1 LEU 79 4.994 5.992 6.882 587 HG LEU 79 HG LEU 79 7.157 5.059 5.022 588 1HD1 LEU 79 HD12 LEU 79 4.384 6.006 4.237 589 2HD1 LEU 79 HD11 LEU 79 5.751 5.890 3.127 590 3HD1 LEU 79 HD13 LEU 79 5.097 4.434 3.876 591 1HD2 LEU 79 HD21 LEU 79 6.228 7.532 6.232 592 2HD2 LEU 79 HD23 LEU 79 7.733 7.215 5.369 593 3HD2 LEU 79 HD22 LEU 79 6.284 7.675 4.475 594 H GLN 80 HN GLN 80 9.072 5.140 8.258 595 HA GLN 80 HA GLN 80 8.601 8.015 8.942 596 1HB GLN 80 HB2 GLN 80 9.999 5.858 10.515 597 2HB GLN 80 HB1 GLN 80 10.403 7.559 10.751 598 1HG GLN 80 HG2 GLN 80 7.616 6.383 10.979 599 2HG GLN 80 HG1 GLN 80 8.654 6.803 12.343 600 1HE2 GLN 80 HE22 GLN 80 8.348 10.373 11.718 601 2HE2 GLN 80 HE21 GLN 80 9.504 9.222 12.190 602 H ASP 81 HN ASP 81 10.907 9.030 9.348 603 HA ASP 81 HA ASP 81 12.243 8.931 6.797 604 1HB ASP 81 HB2 ASP 81 13.209 10.264 9.346 605 2HB ASP 81 HB1 ASP 81 13.694 10.640 7.691 606 H LEU 82 HN LEU 82 13.358 7.143 6.331 607 HA LEU 82 HA LEU 82 15.034 5.745 8.300 608 1HB LEU 82 HB2 LEU 82 14.305 5.371 5.395 609 2HB LEU 82 HB1 LEU 82 15.657 4.479 6.069 610 HG LEU 82 HG LEU 82 13.001 4.489 7.481 611 1HD1 LEU 82 HD12 LEU 82 12.572 3.825 5.128 612 2HD1 LEU 82 HD11 LEU 82 13.843 2.609 5.251 613 3HD1 LEU 82 HD13 LEU 82 12.384 2.460 6.229 614 1HD2 LEU 82 HD21 LEU 82 15.074 3.579 8.566 615 2HD2 LEU 82 HD23 LEU 82 13.819 2.360 8.344 616 3HD2 LEU 82 HD22 LEU 82 15.202 2.411 7.251 617 HA PRO 83 HA PRO 83 18.741 7.850 7.245 618 1HB PRO 83 HB2 PRO 83 20.570 5.865 6.661 619 2HB PRO 83 HB1 PRO 83 20.065 6.299 8.303 620 1HG PRO 83 HG2 PRO 83 19.246 3.949 6.642 621 2HG PRO 83 HG1 PRO 83 19.388 4.085 8.403 622 1HD PRO 83 HD2 PRO 83 16.982 4.159 7.008 623 2HD PRO 83 HD1 PRO 83 17.210 4.808 8.639 624 H GLY 84 HN GLY 84 18.404 8.991 5.385 625 1HA GLY 84 HA2 GLY 84 19.055 9.515 3.142 626 2HA GLY 84 HA1 GLY 84 19.340 7.799 2.840 627 H CYS 85 HN CYS 85 16.364 8.118 4.436 628 HA CYS 85 HA CYS 85 14.864 8.495 1.884 629 1HB CYS 85 HB2 CYS 85 14.069 6.321 3.801 630 2HB CYS 85 HB1 CYS 85 13.682 6.483 2.089 631 HA PRO 86 HA PRO 86 13.003 10.752 5.432 632 1HB PRO 86 HB2 PRO 86 12.313 12.987 3.976 633 2HB PRO 86 HB1 PRO 86 13.871 12.768 4.772 634 1HG PRO 86 HG2 PRO 86 13.202 12.586 1.878 635 2HG PRO 86 HG1 PRO 86 14.749 12.981 2.644 636 1HD PRO 86 HD2 PRO 86 14.059 10.495 1.497 637 2HD PRO 86 HD1 PRO 86 15.451 10.800 2.562 638 H ARG 87 HN ARG 87 10.730 11.393 5.812 639 HA ARG 87 HA ARG 87 8.746 9.775 4.760 640 1HB ARG 87 HB2 ARG 87 8.458 12.689 5.563 641 2HB ARG 87 HB1 ARG 87 7.146 11.525 5.450 642 1HG ARG 87 HG2 ARG 87 9.303 10.489 7.078 643 2HG ARG 87 HG1 ARG 87 8.742 12.044 7.693 644 1HD ARG 87 HD2 ARG 87 6.837 9.815 6.954 645 2HD ARG 87 HD1 ARG 87 7.505 9.988 8.577 646 HE ARG 87 HE ARG 87 5.684 11.949 7.262 647 1HH1 ARG 87 HH21 ARG 87 7.964 12.236 9.588 648 2HH1 ARG 87 HH22 ARG 87 6.890 12.557 10.909 649 1HH2 ARG 87 HH11 ARG 87 4.033 11.708 9.138 650 2HH2 ARG 87 HH12 ARG 87 4.666 12.257 10.654 651 H GLN 88 HN GLN 88 10.214 12.631 3.437 652 HA GLN 88 HA GLN 88 8.346 13.450 1.503 653 1HB GLN 88 HB2 GLN 88 10.315 14.761 1.886 654 2HB GLN 88 HB1 GLN 88 11.367 13.425 1.419 655 1HG GLN 88 HG2 GLN 88 10.614 13.540 -0.872 656 2HG GLN 88 HG1 GLN 88 9.365 14.714 -0.453 657 1HE2 GLN 88 HE22 GLN 88 12.107 16.777 -1.767 658 2HE2 GLN 88 HE21 GLN 88 10.920 15.720 -2.362 659 H VAL 89 HN VAL 89 11.131 11.285 0.792 660 HA VAL 89 HA VAL 89 10.271 10.585 -1.803 661 HB VAL 89 HB VAL 89 11.894 8.991 0.190 662 1HG1 VAL 89 HG13 VAL 89 10.916 7.919 -2.016 663 2HG1 VAL 89 HG12 VAL 89 12.186 8.864 -2.793 664 3HG1 VAL 89 HG11 VAL 89 12.605 7.652 -1.584 665 1HG2 VAL 89 HG23 VAL 89 12.675 11.303 -0.249 666 2HG2 VAL 89 HG22 VAL 89 13.802 10.076 -0.827 667 3HG2 VAL 89 HG21 VAL 89 12.751 10.918 -1.968 668 H GLN 90 HN GLN 90 9.610 9.075 1.330 669 HA GLN 90 HA GLN 90 8.206 6.803 0.299 670 1HB GLN 90 HB2 GLN 90 8.674 8.025 2.887 671 2HB GLN 90 HB1 GLN 90 6.999 7.487 2.750 672 1HG GLN 90 HG2 GLN 90 8.176 5.586 3.552 673 2HG GLN 90 HG1 GLN 90 7.961 5.285 1.827 674 1HE2 GLN 90 HE22 GLN 90 11.713 6.533 2.991 675 2HE2 GLN 90 HE21 GLN 90 10.351 7.214 3.742 676 H ARG 91 HN ARG 91 7.320 10.141 0.754 677 HA ARG 91 HA ARG 91 4.449 9.667 0.493 678 1HB ARG 91 HB2 ARG 91 5.544 11.662 1.666 679 2HB ARG 91 HB1 ARG 91 5.874 12.299 0.056 680 1HG ARG 91 HG2 ARG 91 3.784 13.122 -0.001 681 2HG ARG 91 HG1 ARG 91 3.171 11.468 0.037 682 1HD ARG 91 HD2 ARG 91 4.036 12.268 2.678 683 2HD ARG 91 HD1 ARG 91 2.875 13.432 2.039 684 HE ARG 91 HE ARG 91 2.167 10.561 1.836 685 1HH1 ARG 91 HH11 ARG 91 2.274 12.435 4.490 686 2HH1 ARG 91 HH12 ARG 91 0.565 12.597 4.725 687 1HH2 ARG 91 HH21 ARG 91 -0.253 11.280 1.623 688 2HH2 ARG 91 HH22 ARG 91 -0.865 11.944 3.102 689 H ALA 92 HN ALA 92 7.130 10.410 -1.682 690 HA ALA 92 HA ALA 92 5.437 11.088 -3.939 691 1HB ALA 92 HB1 ALA 92 7.810 11.813 -3.770 692 2HB ALA 92 HB3 ALA 92 8.316 10.129 -3.910 693 3HB ALA 92 HB2 ALA 92 7.497 10.918 -5.258 694 H PHE 93 HN PHE 93 7.127 8.139 -2.878 695 HA PHE 93 HA PHE 93 6.154 6.576 -5.143 696 1HB PHE 93 HB2 PHE 93 8.243 5.926 -4.094 697 2HB PHE 93 HB1 PHE 93 7.444 5.763 -2.529 698 HD1 PHE 93 HD1 PHE 93 5.657 3.998 -2.221 699 HD2 PHE 93 HD2 PHE 93 8.164 4.174 -5.706 700 HE1 PHE 93 HE1 PHE 93 5.054 1.657 -2.777 701 HE2 PHE 93 HE2 PHE 93 7.562 1.833 -6.260 702 HZ PHE 93 HZ PHE 93 6.006 0.574 -4.795 703 H ALA 94 HN ALA 94 5.019 7.326 -1.931 704 HA ALA 94 HA ALA 94 3.393 5.305 -1.143 705 1HB ALA 94 HB2 ALA 94 3.392 8.129 -0.803 706 2HB ALA 94 HB1 ALA 94 1.729 7.635 -1.114 707 3HB ALA 94 HB3 ALA 94 2.627 6.915 0.221 708 HA PRO 95 HA PRO 95 -0.046 6.326 -4.296 709 1HB PRO 95 HB2 PRO 95 0.575 8.106 -6.306 710 2HB PRO 95 HB1 PRO 95 -0.177 8.572 -4.769 711 1HG PRO 95 HG2 PRO 95 2.647 8.940 -5.668 712 2HG PRO 95 HG1 PRO 95 1.697 9.905 -4.525 713 1HD PRO 95 HD2 PRO 95 3.645 8.008 -3.823 714 2HD PRO 95 HD1 PRO 95 2.422 8.670 -2.725 715 H LYS 96 HN LYS 96 -0.252 5.971 -6.879 716 HA LYS 96 HA LYS 96 0.405 4.700 -8.750 717 1HB LYS 96 HB2 LYS 96 3.192 4.619 -7.575 718 2HB LYS 96 HB1 LYS 96 2.721 4.469 -9.268 719 1HG LYS 96 HG2 LYS 96 1.839 6.966 -7.955 720 2HG LYS 96 HG1 LYS 96 3.586 6.797 -8.128 721 1HD LYS 96 HD2 LYS 96 3.454 7.242 -10.328 722 2HD LYS 96 HD1 LYS 96 2.290 5.937 -10.555 723 1HE LYS 96 HE2 LYS 96 0.796 7.569 -11.036 724 2HE LYS 96 HE1 LYS 96 0.783 7.890 -9.301 725 1HZ LYS 96 HZ2 LYS 96 2.939 9.085 -10.860 726 2HZ LYS 96 HZ1 LYS 96 1.384 9.737 -11.076 727 3HZ LYS 96 HZ3 LYS 96 2.083 9.708 -9.530 728 H LEU 97 HN LEU 97 -0.335 3.652 -6.012 729 HA LEU 97 HA LEU 97 1.124 1.177 -5.625 730 1HB LEU 97 HB2 LEU 97 -0.223 2.394 -3.858 731 2HB LEU 97 HB1 LEU 97 -1.677 1.793 -4.660 732 HG LEU 97 HG LEU 97 -0.652 -0.544 -4.444 733 1HD1 LEU 97 HD11 LEU 97 1.601 0.794 -3.722 734 2HD1 LEU 97 HD13 LEU 97 0.923 0.440 -2.132 735 3HD1 LEU 97 HD12 LEU 97 1.271 -0.875 -3.254 736 1HD2 LEU 97 HD21 LEU 97 -2.166 1.030 -2.660 737 2HD2 LEU 97 HD23 LEU 97 -2.069 -0.730 -2.700 738 3HD2 LEU 97 HD22 LEU 97 -0.981 0.189 -1.660 739 H VAL 98 HN VAL 98 -2.379 1.467 -6.482 740 HA VAL 98 HA VAL 98 -2.282 -1.171 -7.717 741 HB VAL 98 HB VAL 98 -4.602 -0.976 -7.971 742 1HG1 VAL 98 HG12 VAL 98 -3.431 -0.481 -5.565 743 2HG1 VAL 98 HG11 VAL 98 -4.481 0.929 -5.714 744 3HG1 VAL 98 HG13 VAL 98 -5.168 -0.693 -5.782 745 1HG2 VAL 98 HG21 VAL 98 -3.958 1.818 -8.501 746 2HG2 VAL 98 HG23 VAL 98 -5.383 0.895 -8.980 747 3HG2 VAL 98 HG22 VAL 98 -5.325 1.671 -7.397 748 H THR 99 HN THR 99 -0.659 1.078 -8.960 749 HA THR 99 HA THR 99 -2.015 1.167 -11.601 750 HB THR 99 HB THR 99 -0.717 3.069 -12.126 751 HG1 THR 99 HG1 THR 99 0.960 2.836 -9.920 752 1HG2 THR 99 HG23 THR 99 -2.320 3.285 -10.099 753 2HG2 THR 99 HG22 THR 99 -0.847 3.374 -9.135 754 3HG2 THR 99 HG21 THR 99 -1.158 4.582 -10.382 755 H GLU 100 HN GLU 100 -0.267 1.040 -13.508 756 HA GLU 100 HA GLU 100 0.831 -1.573 -13.457 757 1HB GLU 100 HB2 GLU 100 0.792 0.685 -15.266 758 2HB GLU 100 HB1 GLU 100 2.359 -0.125 -15.308 759 1HG GLU 100 HG2 GLU 100 1.318 -2.260 -15.768 760 2HG GLU 100 HG1 GLU 100 -0.290 -1.576 -15.529 761 H VAL 101 HN VAL 101 2.070 0.997 -11.603 762 HA VAL 101 HA VAL 101 4.873 0.127 -12.001 763 HB VAL 101 HB VAL 101 3.935 2.291 -10.123 764 1HG1 VAL 101 HG11 VAL 101 6.464 1.233 -11.082 765 2HG1 VAL 101 HG13 VAL 101 6.322 2.954 -11.439 766 3HG1 VAL 101 HG12 VAL 101 6.160 2.382 -9.778 767 1HG2 VAL 101 HG22 VAL 101 4.142 2.304 -13.119 768 2HG2 VAL 101 HG21 VAL 101 2.956 3.094 -12.082 769 3HG2 VAL 101 HG23 VAL 101 4.583 3.757 -12.223 770 H GLU 102 HN GLU 102 2.371 -1.042 -10.253 771 HA GLU 102 HA GLU 102 4.231 -2.010 -8.156 772 1HB GLU 102 HB2 GLU 102 2.097 -0.097 -7.690 773 2HB GLU 102 HB1 GLU 102 1.845 -1.571 -6.754 774 1HG GLU 102 HG2 GLU 102 4.484 -0.090 -6.840 775 2HG GLU 102 HG1 GLU 102 3.264 0.169 -5.592 776 H CYS 103 HN CYS 103 0.723 -2.327 -7.974 777 HA CYS 103 HA CYS 103 0.871 -5.069 -9.132 778 1HB CYS 103 HB2 CYS 103 -0.255 -4.495 -6.373 779 2HB CYS 103 HB1 CYS 103 -0.143 -6.067 -7.165 780 H ASN 104 HN ASN 104 -0.394 -2.687 -10.164 781 HA ASN 104 HA ASN 104 -2.926 -1.981 -9.632 782 1HB ASN 104 HB2 ASN 104 -1.850 -1.259 -11.673 783 2HB ASN 104 HB1 ASN 104 -1.915 -2.894 -12.332 784 1HD2 ASN 104 HD22 ASN 104 -4.965 -2.034 -13.871 785 2HD2 ASN 104 HD21 ASN 104 -3.379 -2.608 -14.064 786 H LEU 105 HN LEU 105 -3.012 -4.422 -12.139 787 HA LEU 105 HA LEU 105 -4.185 -6.483 -12.208 788 1HB LEU 105 HB2 LEU 105 -5.292 -5.870 -9.462 789 2HB LEU 105 HB1 LEU 105 -5.243 -7.427 -10.281 790 HG LEU 105 HG LEU 105 -2.634 -6.051 -9.846 791 1HD1 LEU 105 HD12 LEU 105 -4.163 -5.959 -7.701 792 2HD1 LEU 105 HD11 LEU 105 -3.805 -7.684 -7.609 793 3HD1 LEU 105 HD13 LEU 105 -2.493 -6.506 -7.559 794 1HD2 LEU 105 HD21 LEU 105 -3.751 -8.788 -10.179 795 2HD2 LEU 105 HD23 LEU 105 -2.245 -8.107 -10.793 796 3HD2 LEU 105 HD22 LEU 105 -2.349 -8.647 -9.117 797 H ALA 106 HN ALA 106 -6.093 -4.262 -10.242 798 HA ALA 106 HA ALA 106 -7.660 -2.932 -12.023 799 1HB ALA 106 HB3 ALA 106 -8.380 -5.832 -12.010 800 2HB ALA 106 HB2 ALA 106 -9.705 -4.671 -12.064 801 3HB ALA 106 HB1 ALA 106 -8.472 -4.661 -13.325 802 H THR 107 HN THR 107 -8.509 -1.545 -10.531 803 HA THR 107 HA THR 107 -9.296 -2.536 -7.868 804 HB THR 107 HB THR 107 -9.314 -0.278 -7.208 805 HG1 THR 107 HG1 THR 107 -9.839 0.308 -9.940 806 1HG2 THR 107 HG21 THR 107 -7.106 -1.008 -8.253 807 2HG2 THR 107 HG23 THR 107 -7.588 -0.085 -9.676 808 3HG2 THR 107 HG22 THR 107 -7.369 0.731 -8.129 809 H ILE 108 HN ILE 108 -11.520 -0.813 -7.376 810 HA ILE 108 HA ILE 108 -13.641 -2.371 -8.608 811 HB ILE 108 HB ILE 108 -13.698 -1.353 -6.277 812 1HG1 ILE 108 HG12 ILE 108 -16.146 -0.531 -6.629 813 2HG1 ILE 108 HG11 ILE 108 -15.890 -0.982 -8.316 814 1HG2 ILE 108 HG21 ILE 108 -12.895 0.919 -7.328 815 2HG2 ILE 108 HG23 ILE 108 -14.614 1.168 -7.631 816 3HG2 ILE 108 HG22 ILE 108 -14.034 0.939 -5.982 817 1HD1 ILE 108 HD12 ILE 108 -14.943 -3.066 -6.527 818 2HD1 ILE 108 HD11 ILE 108 -16.641 -2.696 -6.227 819 3HD1 ILE 108 HD13 ILE 108 -16.114 -3.173 -7.841 820 H HIS 109 HN HIS 109 -11.949 0.475 -9.464 821 HA HIS 109 HA HIS 109 -14.051 1.686 -11.091 822 1HB HIS 109 HB2 HIS 109 -11.065 2.160 -10.953 823 2HB HIS 109 HB1 HIS 109 -12.208 3.165 -11.843 824 HD1 HIS 109 HD1 HIS 109 -13.705 4.762 -10.483 825 HD2 HIS 109 HD2 HIS 109 -11.279 2.344 -8.118 826 HE1 HIS 109 HE1 HIS 109 -13.855 5.683 -8.129 827 H GLY 110 HN GLY 110 -12.830 -1.201 -11.587 828 1HA GLY 110 HA2 GLY 110 -12.156 -2.463 -13.456 829 2HA GLY 110 HA1 GLY 110 -13.345 -1.460 -14.289 830 H GLY 111 HN GLY 111 -10.545 -0.002 -12.799 831 1HA GLY 111 HA2 GLY 111 -9.049 0.059 -15.332 832 2HA GLY 111 HA1 GLY 111 -9.688 1.613 -14.796 833 HA PRO 112 HA PRO 112 -5.600 0.655 -12.671 834 1HB PRO 112 HB2 PRO 112 -4.052 2.398 -14.147 835 2HB PRO 112 HB1 PRO 112 -4.255 0.684 -14.548 836 1HG PRO 112 HG2 PRO 112 -5.424 3.086 -15.868 837 2HG PRO 112 HG1 PRO 112 -5.098 1.482 -16.544 838 1HD PRO 112 HD2 PRO 112 -7.628 2.460 -15.732 839 2HD PRO 112 HD1 PRO 112 -7.230 0.771 -16.111 840 H PHE 113 HN PHE 113 -6.911 1.913 -11.023 841 HA PHE 113 HA PHE 113 -5.639 4.200 -10.094 842 1HB PHE 113 HB2 PHE 113 -7.385 5.978 -10.718 843 2HB PHE 113 HB1 PHE 113 -6.227 5.520 -11.959 844 HD1 PHE 113 HD1 PHE 113 -8.679 2.948 -11.286 845 HD2 PHE 113 HD2 PHE 113 -7.993 6.565 -13.499 846 HE1 PHE 113 HE1 PHE 113 -10.541 2.369 -12.807 847 HE2 PHE 113 HE2 PHE 113 -9.858 5.983 -15.024 848 HZ PHE 113 HZ PHE 113 -11.137 3.884 -14.679 849 H CYS 114 HN CYS 114 -7.073 5.505 -8.524 850 HA CYS 114 HA CYS 114 -9.601 4.471 -7.713 851 1HB CYS 114 HB2 CYS 114 -9.150 2.858 -6.171 852 2HB CYS 114 HB1 CYS 114 -7.660 2.678 -7.071 853 H LEU 115 HN LEU 115 -10.509 5.822 -6.048 854 HA LEU 115 HA LEU 115 -10.680 7.930 -5.008 855 1HB LEU 115 HB2 LEU 115 -8.191 6.684 -3.827 856 2HB LEU 115 HB1 LEU 115 -8.874 8.192 -3.217 857 HG LEU 115 HG LEU 115 -10.452 5.620 -3.487 858 1HD1 LEU 115 HD13 LEU 115 -8.481 6.377 -1.536 859 2HD1 LEU 115 HD12 LEU 115 -10.070 6.363 -0.772 860 3HD1 LEU 115 HD11 LEU 115 -9.471 4.919 -1.587 861 1HD2 LEU 115 HD21 LEU 115 -11.311 8.230 -3.257 862 2HD2 LEU 115 HD23 LEU 115 -12.236 6.817 -2.749 863 3HD2 LEU 115 HD22 LEU 115 -11.265 7.705 -1.575 864 H SER 116 HN SER 116 -9.865 8.476 -7.480 865 HA SER 116 HA SER 116 -8.491 10.922 -7.337 866 1HB SER 116 HB2 SER 116 -6.473 9.795 -6.699 867 2HB SER 116 HB1 SER 116 -6.705 8.549 -7.921 868 HG SER 116 HG SER 116 -5.202 10.434 -8.332 869 H LEU 117 HN LEU 117 -8.026 8.148 -9.556 870 HA LEU 117 HA LEU 117 -8.553 7.932 -11.834 871 1HB LEU 117 HB2 LEU 117 -10.813 9.425 -10.618 872 2HB LEU 117 HB1 LEU 117 -10.686 9.514 -12.375 873 HG LEU 117 HG LEU 117 -10.199 6.832 -11.818 874 1HD1 LEU 117 HD11 LEU 117 -12.370 7.943 -10.020 875 2HD1 LEU 117 HD13 LEU 117 -12.234 6.236 -10.440 876 3HD1 LEU 117 HD12 LEU 117 -10.944 7.025 -9.532 877 1HD2 LEU 117 HD21 LEU 117 -12.688 8.333 -12.666 878 2HD2 LEU 117 HD23 LEU 117 -11.496 7.550 -13.703 879 3HD2 LEU 117 HD22 LEU 117 -12.576 6.573 -12.707 880 H LEU 118 HN LEU 118 -6.796 10.213 -10.814 881 HA LEU 118 HA LEU 118 -5.570 11.913 -11.839 882 1HB LEU 118 HB2 LEU 118 -7.079 10.828 -14.199 883 2HB LEU 118 HB1 LEU 118 -6.169 12.323 -14.345 884 HG LEU 118 HG LEU 118 -4.394 10.689 -13.017 885 1HD1 LEU 118 HD13 LEU 118 -6.301 8.915 -13.756 886 2HD1 LEU 118 HD12 LEU 118 -5.307 8.910 -15.213 887 3HD1 LEU 118 HD11 LEU 118 -4.591 8.497 -13.656 888 1HD2 LEU 118 HD22 LEU 118 -4.821 11.323 -15.937 889 2HD2 LEU 118 HD21 LEU 118 -3.642 12.017 -14.824 890 3HD2 LEU 118 HD23 LEU 118 -3.439 10.364 -15.407 891 H GLY 119 HN GLY 119 -9.007 12.088 -11.643 892 1HA GLY 119 HA2 GLY 119 -8.951 14.892 -11.111 893 2HA GLY 119 HA1 GLY 119 -9.568 14.607 -12.741 894 H ALA 120 HN ALA 120 -11.408 15.711 -11.164 895 HA ALA 120 HA ALA 120 -13.215 13.430 -10.523 896 1HB ALA 120 HB3 ALA 120 -12.079 14.599 -8.473 897 2HB ALA 120 HB2 ALA 120 -13.225 15.898 -8.807 898 3HB ALA 120 HB1 ALA 120 -13.812 14.279 -8.428 899 H GLY 121 HN GLY 121 -13.724 14.329 -12.833 900 1HA GLY 121 HA2 GLY 121 -15.056 16.847 -13.119 901 2HA GLY 121 HA1 GLY 121 -15.242 15.474 -14.212 902 H GLU 122 HN GLU 122 -15.994 13.958 -11.560 903 HA GLU 122 HA GLU 122 -18.809 13.955 -11.974 904 1HB GLU 122 HB2 GLU 122 -16.964 12.561 -10.350 905 2HB GLU 122 HB1 GLU 122 -18.153 13.255 -9.247 906 1HG GLU 122 HG2 GLU 122 -19.905 12.364 -10.966 907 2HG GLU 122 HG1 GLU 122 -18.587 11.329 -11.518 No H/Q in entry = 907 Start of MODEL 20 Raw file had 930 H/Q atoms Start of MODEL 20 1 1H SER 1 HT3 SER 1 -25.981 5.747 6.839 2 2H SER 1 HT2 SER 1 -27.086 4.664 7.540 3 3H SER 1 HT1 SER 1 -26.222 5.754 8.518 4 HA SER 1 HA SER 1 -24.902 3.985 8.881 5 1HB SER 1 HB2 SER 1 -24.934 2.020 7.593 6 2HB SER 1 HB1 SER 1 -26.562 2.657 7.373 7 HG SER 1 HG SER 1 -25.529 2.061 5.391 8 H VAL 2 HN VAL 2 -22.887 2.924 7.411 9 HA VAL 2 HA VAL 2 -21.321 5.296 6.712 10 HB VAL 2 HB VAL 2 -20.693 2.335 6.762 11 1HG1 VAL 2 HG11 VAL 2 -19.265 4.585 5.511 12 2HG1 VAL 2 HG13 VAL 2 -18.279 3.646 6.632 13 3HG1 VAL 2 HG12 VAL 2 -19.063 2.850 5.267 14 1HG2 VAL 2 HG22 VAL 2 -20.961 3.605 8.928 15 2HG2 VAL 2 HG21 VAL 2 -19.354 2.916 8.694 16 3HG2 VAL 2 HG23 VAL 2 -19.623 4.637 8.422 17 H GLY 3 HN GLY 3 -21.052 2.318 4.871 18 1HA GLY 3 HA2 GLY 3 -22.420 2.461 2.605 19 2HA GLY 3 HA1 GLY 3 -21.420 3.899 2.386 20 H THR 4 HN THR 4 -19.201 3.641 1.936 21 HA THR 4 HA THR 4 -18.459 0.952 0.967 22 HB THR 4 HB THR 4 -17.963 2.834 -0.501 23 HG1 THR 4 HG1 THR 4 -15.481 2.618 -0.220 24 1HG2 THR 4 HG22 THR 4 -16.576 3.904 1.955 25 2HG2 THR 4 HG21 THR 4 -16.169 4.482 0.339 26 3HG2 THR 4 HG23 THR 4 -17.806 4.687 0.963 27 H SER 5 HN SER 5 -18.697 1.202 3.801 28 HA SER 5 HA SER 5 -16.157 1.680 5.061 29 1HB SER 5 HB2 SER 5 -18.768 0.966 5.888 30 2HB SER 5 HB1 SER 5 -17.700 -0.305 6.475 31 HG SER 5 HG SER 5 -16.407 1.318 7.409 32 H CYS 6 HN CYS 6 -15.179 -0.322 6.376 33 HA CYS 6 HA CYS 6 -14.969 -2.673 4.549 34 1HB CYS 6 HB2 CYS 6 -12.704 -1.038 5.717 35 2HB CYS 6 HB1 CYS 6 -12.477 -2.668 5.087 36 H ILE 7 HN ILE 7 -13.526 -4.410 5.832 37 HA ILE 7 HA ILE 7 -14.581 -4.446 8.625 38 HB ILE 7 HB ILE 7 -13.898 -6.852 6.915 39 1HG1 ILE 7 HG12 ILE 7 -15.766 -5.567 5.923 40 2HG1 ILE 7 HG11 ILE 7 -16.334 -7.093 6.600 41 1HG2 ILE 7 HG21 ILE 7 -13.854 -7.188 9.369 42 2HG2 ILE 7 HG23 ILE 7 -15.495 -6.549 9.478 43 3HG2 ILE 7 HG22 ILE 7 -15.192 -8.062 8.622 44 1HD1 ILE 7 HD13 ILE 7 -16.781 -5.717 8.759 45 2HD1 ILE 7 HD12 ILE 7 -16.664 -4.308 7.703 46 3HD1 ILE 7 HD11 ILE 7 -17.901 -5.532 7.409 47 HA PRO 8 HA PRO 8 -10.301 -4.620 9.741 48 1HB PRO 8 HB2 PRO 8 -10.656 -5.179 12.412 49 2HB PRO 8 HB1 PRO 8 -10.905 -3.573 11.703 50 1HG PRO 8 HG2 PRO 8 -12.932 -5.546 12.632 51 2HG PRO 8 HG1 PRO 8 -13.065 -3.787 12.484 52 1HD PRO 8 HD2 PRO 8 -14.109 -5.714 10.678 53 2HD PRO 8 HD1 PRO 8 -14.013 -3.960 10.413 54 H GLY 9 HN GLY 9 -8.681 -6.270 10.249 55 1HA GLY 9 HA2 GLY 9 -7.847 -8.456 10.273 56 2HA GLY 9 HA1 GLY 9 -9.166 -8.798 11.388 57 H MET 10 HN MET 10 -10.121 -7.608 8.310 58 HA MET 10 HA MET 10 -10.571 -10.364 7.279 59 1HB MET 10 HB2 MET 10 -12.702 -8.210 7.371 60 2HB MET 10 HB1 MET 10 -12.893 -9.852 6.754 61 1HG MET 10 HG2 MET 10 -11.831 -10.117 9.358 62 2HG MET 10 HG1 MET 10 -13.109 -8.907 9.473 63 1HE MET 10 HE1 MET 10 -13.626 -10.576 11.112 64 2HE MET 10 HE3 MET 10 -15.123 -11.478 10.839 65 3HE MET 10 HE2 MET 10 -13.568 -12.306 10.779 66 H ALA 11 HN ALA 11 -9.341 -10.175 5.286 67 HA ALA 11 HA ALA 11 -9.067 -9.445 3.053 68 1HB ALA 11 HB1 ALA 11 -11.446 -8.311 3.496 69 2HB ALA 11 HB3 ALA 11 -10.463 -6.849 3.561 70 3HB ALA 11 HB2 ALA 11 -10.457 -7.851 2.110 71 H ILE 12 HN ILE 12 -9.170 -6.630 5.262 72 HA ILE 12 HA ILE 12 -6.420 -5.948 4.375 73 HB ILE 12 HB ILE 12 -8.152 -4.206 6.120 74 1HG1 ILE 12 HG12 ILE 12 -8.205 -3.570 3.258 75 2HG1 ILE 12 HG11 ILE 12 -9.009 -5.094 3.632 76 1HG2 ILE 12 HG21 ILE 12 -5.945 -3.703 4.104 77 2HG2 ILE 12 HG23 ILE 12 -6.847 -2.429 4.925 78 3HG2 ILE 12 HG22 ILE 12 -5.833 -3.532 5.857 79 1HD1 ILE 12 HD13 ILE 12 -10.114 -3.741 5.577 80 2HD1 ILE 12 HD12 ILE 12 -9.647 -2.330 4.628 81 3HD1 ILE 12 HD11 ILE 12 -10.731 -3.537 3.939 82 HA PRO 13 HA PRO 13 -5.765 -7.753 8.487 83 1HB PRO 13 HB2 PRO 13 -3.175 -8.568 8.042 84 2HB PRO 13 HB1 PRO 13 -4.606 -9.510 7.594 85 1HG PRO 13 HG2 PRO 13 -2.723 -8.039 5.847 86 2HG PRO 13 HG1 PRO 13 -3.857 -9.333 5.428 87 1HD PRO 13 HD2 PRO 13 -4.169 -6.519 4.990 88 2HD PRO 13 HD1 PRO 13 -5.357 -7.797 4.630 89 H HIS 14 HN HIS 14 -3.928 -7.426 10.136 90 HA HIS 14 HA HIS 14 -3.494 -4.601 10.435 91 1HB HIS 14 HB2 HIS 14 -2.400 -6.969 12.000 92 2HB HIS 14 HB1 HIS 14 -2.451 -5.304 12.549 93 HD1 HIS 14 HD1 HIS 14 -4.609 -4.467 13.579 94 HD2 HIS 14 HD2 HIS 14 -5.083 -8.116 11.625 95 HE1 HIS 14 HE1 HIS 14 -6.972 -5.245 14.075 96 H ASN 15 HN ASN 15 -1.428 -3.488 10.372 97 HA ASN 15 HA ASN 15 0.584 -2.994 9.287 98 1HB ASN 15 HB2 ASN 15 2.411 -4.672 9.886 99 2HB ASN 15 HB1 ASN 15 1.537 -3.962 11.241 100 1HD2 ASN 15 HD22 ASN 15 1.300 -7.958 10.564 101 2HD2 ASN 15 HD21 ASN 15 2.208 -6.946 9.548 102 HA PRO 16 HA PRO 16 -0.178 -5.971 5.780 103 1HB PRO 16 HB2 PRO 16 -1.612 -4.261 4.185 104 2HB PRO 16 HB1 PRO 16 -2.364 -5.352 5.362 105 1HG PRO 16 HG2 PRO 16 -1.982 -2.398 5.518 106 2HG PRO 16 HG1 PRO 16 -3.207 -3.414 6.298 107 1HD PRO 16 HD2 PRO 16 -0.886 -2.353 7.543 108 2HD PRO 16 HD1 PRO 16 -1.960 -3.607 8.197 109 H LEU 17 HN LEU 17 0.624 -5.636 3.513 110 HA LEU 17 HA LEU 17 2.270 -4.890 2.027 111 1HB LEU 17 HB2 LEU 17 1.709 -2.135 3.123 112 2HB LEU 17 HB1 LEU 17 2.210 -2.579 1.492 113 HG LEU 17 HG LEU 17 -0.459 -3.176 2.797 114 1HD1 LEU 17 HD13 LEU 17 0.450 -1.403 0.521 115 2HD1 LEU 17 HD12 LEU 17 -1.237 -1.861 0.749 116 3HD1 LEU 17 HD11 LEU 17 -0.402 -0.926 1.989 117 1HD2 LEU 17 HD22 LEU 17 0.878 -4.229 0.321 118 2HD2 LEU 17 HD21 LEU 17 -0.122 -5.085 1.494 119 3HD2 LEU 17 HD23 LEU 17 -0.870 -3.999 0.323 120 H ASP 18 HN ASP 18 3.397 -5.820 4.424 121 HA ASP 18 HA ASP 18 5.224 -3.876 5.558 122 1HB ASP 18 HB2 ASP 18 6.353 -5.809 6.566 123 2HB ASP 18 HB1 ASP 18 4.605 -5.987 6.730 124 H SER 19 HN SER 19 5.517 -6.387 3.093 125 HA SER 19 HA SER 19 8.269 -5.923 2.452 126 1HB SER 19 HB2 SER 19 6.335 -7.710 1.613 127 2HB SER 19 HB1 SER 19 6.541 -6.691 0.192 128 HG SER 19 HG SER 19 8.011 -8.520 0.368 129 H CYS 20 HN CYS 20 5.316 -4.274 1.704 130 HA CYS 20 HA CYS 20 6.248 -2.799 -0.585 131 1HB CYS 20 HB2 CYS 20 4.068 -2.163 1.414 132 2HB CYS 20 HB1 CYS 20 4.302 -1.345 -0.131 133 H ARG 21 HN ARG 21 6.087 -2.057 2.905 134 HA ARG 21 HA ARG 21 7.160 0.574 2.662 135 1HB ARG 21 HB2 ARG 21 6.344 0.447 4.766 136 2HB ARG 21 HB1 ARG 21 6.560 -1.294 4.858 137 1HG ARG 21 HG2 ARG 21 8.708 -1.111 5.725 138 2HG ARG 21 HG1 ARG 21 8.999 0.449 4.956 139 1HD ARG 21 HD2 ARG 21 7.321 1.467 6.524 140 2HD ARG 21 HD1 ARG 21 7.225 -0.086 7.356 141 HE ARG 21 HE ARG 21 9.725 0.213 7.793 142 1HH1 ARG 21 HH21 ARG 21 9.783 2.776 6.097 143 2HH1 ARG 21 HH22 ARG 21 9.817 3.983 7.340 144 1HH2 ARG 21 HH11 ARG 21 8.830 1.804 9.850 145 2HH2 ARG 21 HH12 ARG 21 9.277 3.432 9.464 146 H TRP 22 HN TRP 22 8.812 -2.556 3.393 147 HA TRP 22 HA TRP 22 11.405 -1.295 3.431 148 1HB TRP 22 HB2 TRP 22 10.573 -4.175 3.263 149 2HB TRP 22 HB1 TRP 22 12.249 -3.697 3.030 150 HD1 TRP 22 HD1 TRP 22 10.158 -4.760 5.699 151 HE1 TRP 22 HE1 TRP 22 10.984 -3.865 7.990 152 HE3 TRP 22 HE3 TRP 22 13.299 -1.254 4.046 153 HZ2 TRP 22 HZ2 TRP 22 12.814 -1.831 8.950 154 HZ3 TRP 22 HZ3 TRP 22 14.610 0.195 5.611 155 HH2 TRP 22 HH2 TRP 22 14.365 -0.104 8.065 156 H TYR 23 HN TYR 23 9.346 -2.514 0.924 157 HA TYR 23 HA TYR 23 11.367 -2.784 -1.106 158 1HB TYR 23 HB2 TYR 23 9.068 -3.757 -1.268 159 2HB TYR 23 HB1 TYR 23 8.430 -2.130 -1.498 160 HD1 TYR 23 HD2 TYR 23 11.723 -2.509 -2.882 161 HD2 TYR 23 HD1 TYR 23 7.565 -3.245 -3.687 162 HE1 TYR 23 HE2 TYR 23 12.218 -2.663 -5.302 163 HE2 TYR 23 HE1 TYR 23 8.065 -3.398 -6.108 164 HH TYR 23 HH TYR 23 10.725 -2.258 -7.512 165 H VAL 24 HN VAL 24 9.537 -0.061 0.194 166 HA VAL 24 HA VAL 24 10.341 1.741 -1.961 167 HB VAL 24 HB VAL 24 9.449 2.432 0.849 168 1HG1 VAL 24 HG13 VAL 24 10.329 3.979 -1.483 169 2HG1 VAL 24 HG12 VAL 24 8.766 4.498 -0.850 170 3HG1 VAL 24 HG11 VAL 24 10.180 4.475 0.204 171 1HG2 VAL 24 HG21 VAL 24 7.958 1.918 -1.723 172 2HG2 VAL 24 HG23 VAL 24 7.603 1.309 -0.106 173 3HG2 VAL 24 HG22 VAL 24 7.288 2.999 -0.500 174 H SER 25 HN SER 25 11.466 1.007 1.346 175 HA SER 25 HA SER 25 13.514 2.948 1.483 176 1HB SER 25 HB2 SER 25 14.415 1.724 3.255 177 2HB SER 25 HB1 SER 25 12.727 1.214 3.260 178 HG SER 25 HG SER 25 14.736 -0.355 3.144 179 H THR 26 HN THR 26 13.588 -0.314 0.041 180 HA THR 26 HA THR 26 16.396 -0.110 -0.712 181 HB THR 26 HB THR 26 14.188 -2.077 -1.310 182 HG1 THR 26 HG1 THR 26 15.159 -3.161 0.205 183 1HG2 THR 26 HG22 THR 26 16.874 -1.791 -2.613 184 2HG2 THR 26 HG21 THR 26 16.239 -3.407 -2.304 185 3HG2 THR 26 HG23 THR 26 15.337 -2.285 -3.323 186 H ARG 27 HN ARG 27 13.400 -0.169 -2.674 187 HA ARG 27 HA ARG 27 14.653 0.341 -5.155 188 1HB ARG 27 HB2 ARG 27 12.336 -0.371 -5.062 189 2HB ARG 27 HB1 ARG 27 11.882 1.093 -4.190 190 1HG ARG 27 HG2 ARG 27 12.275 2.474 -6.076 191 2HG ARG 27 HG1 ARG 27 13.181 1.213 -6.912 192 1HD ARG 27 HD2 ARG 27 10.484 0.343 -6.208 193 2HD ARG 27 HD1 ARG 27 10.475 1.769 -7.247 194 HE ARG 27 HE ARG 27 12.188 -0.510 -8.066 195 1HH1 ARG 27 HH11 ARG 27 9.111 1.001 -8.244 196 2HH1 ARG 27 HH12 ARG 27 8.870 0.632 -9.918 197 1HH2 ARG 27 HH21 ARG 27 11.991 -0.827 -10.319 198 2HH2 ARG 27 HH22 ARG 27 10.499 -0.404 -11.092 199 H THR 28 HN THR 28 13.933 2.514 -2.524 200 HA THR 28 HA THR 28 14.374 4.876 -4.247 201 HB THR 28 HB THR 28 13.709 6.176 -2.262 202 HG1 THR 28 HG1 THR 28 13.682 5.305 -0.354 203 1HG2 THR 28 HG23 THR 28 11.984 5.184 -3.755 204 2HG2 THR 28 HG22 THR 28 11.908 3.782 -2.687 205 3HG2 THR 28 HG21 THR 28 11.422 5.371 -2.095 206 H CYS 29 HN CYS 29 15.692 3.956 -1.019 207 HA CYS 29 HA CYS 29 18.179 5.405 -1.753 208 1HB CYS 29 HB2 CYS 29 17.630 4.196 0.945 209 2HB CYS 29 HB1 CYS 29 18.607 5.608 0.542 210 H GLY 30 HN GLY 30 17.250 2.520 -2.479 211 1HA GLY 30 HA2 GLY 30 18.299 0.420 -2.728 212 2HA GLY 30 HA1 GLY 30 19.814 1.314 -2.589 213 H VAL 31 HN VAL 31 17.619 1.641 0.049 214 HA VAL 31 HA VAL 31 19.443 -0.012 1.731 215 HB VAL 31 HB VAL 31 17.505 2.225 2.351 216 1HG1 VAL 31 HG12 VAL 31 18.957 0.409 4.300 217 2HG1 VAL 31 HG11 VAL 31 18.083 1.876 4.739 218 3HG1 VAL 31 HG13 VAL 31 17.210 0.496 4.071 219 1HG2 VAL 31 HG23 VAL 31 20.110 2.324 1.634 220 2HG2 VAL 31 HG22 VAL 31 19.385 3.480 2.752 221 3HG2 VAL 31 HG21 VAL 31 20.295 2.104 3.374 222 H GLY 32 HN GLY 32 18.453 -1.448 3.355 223 1HA GLY 32 HA2 GLY 32 16.124 -2.282 4.112 224 2HA GLY 32 HA1 GLY 32 15.861 -2.501 2.376 225 HA PRO 33 HA PRO 33 18.073 -6.266 4.236 226 1HB PRO 33 HB2 PRO 33 16.152 -8.166 3.639 227 2HB PRO 33 HB1 PRO 33 16.295 -7.350 5.207 228 1HG PRO 33 HG2 PRO 33 14.360 -6.831 2.977 229 2HG PRO 33 HG1 PRO 33 14.120 -6.694 4.728 230 1HD PRO 33 HD2 PRO 33 14.519 -4.532 3.076 231 2HD PRO 33 HD1 PRO 33 14.924 -4.545 4.807 232 H ARG 34 HN ARG 34 18.655 -8.299 2.831 233 HA ARG 34 HA ARG 34 18.984 -7.319 0.064 234 1HB ARG 34 HB2 ARG 34 20.129 -9.919 1.002 235 2HB ARG 34 HB1 ARG 34 20.829 -8.711 -0.074 236 1HG ARG 34 HG2 ARG 34 20.877 -7.172 2.006 237 2HG ARG 34 HG1 ARG 34 20.635 -8.652 2.935 238 1HD ARG 34 HD2 ARG 34 22.699 -9.027 0.933 239 2HD ARG 34 HD1 ARG 34 23.081 -7.657 1.976 240 HE ARG 34 HE ARG 34 22.935 -9.191 3.907 241 1HH1 ARG 34 HH21 ARG 34 21.483 -11.087 1.714 242 2HH1 ARG 34 HH22 ARG 34 22.579 -12.425 1.801 243 1HH2 ARG 34 HH11 ARG 34 24.970 -10.689 3.615 244 2HH2 ARG 34 HH12 ARG 34 24.556 -12.201 2.879 245 H LEU 35 HN LEU 35 16.565 -7.746 -0.214 246 HA LEU 35 HA LEU 35 16.082 -10.612 -0.913 247 1HB LEU 35 HB2 LEU 35 14.436 -8.550 0.335 248 2HB LEU 35 HB1 LEU 35 13.651 -9.234 -1.089 249 HG LEU 35 HG LEU 35 13.202 -10.448 1.110 250 1HD1 LEU 35 HD11 LEU 35 13.965 -11.510 -1.502 251 2HD1 LEU 35 HD13 LEU 35 14.195 -12.689 -0.211 252 3HD1 LEU 35 HD12 LEU 35 12.612 -11.957 -0.464 253 1HD2 LEU 35 HD23 LEU 35 16.031 -10.347 1.220 254 2HD2 LEU 35 HD22 LEU 35 14.945 -11.155 2.351 255 3HD2 LEU 35 HD21 LEU 35 15.606 -12.041 0.976 256 H ALA 36 HN ALA 36 16.143 -11.020 -3.081 257 HA ALA 36 HA ALA 36 16.764 -9.274 -5.096 258 1HB ALA 36 HB2 ALA 36 15.192 -11.809 -5.041 259 2HB ALA 36 HB1 ALA 36 15.178 -10.876 -6.537 260 3HB ALA 36 HB3 ALA 36 16.706 -11.443 -5.865 261 H THR 37 HN THR 37 15.717 -7.498 -6.061 262 HA THR 37 HA THR 37 13.393 -6.350 -5.045 263 HB THR 37 HB THR 37 14.260 -6.104 -7.931 264 HG1 THR 37 HG1 THR 37 15.977 -5.125 -7.250 265 1HG2 THR 37 HG22 THR 37 12.124 -4.991 -6.766 266 2HG2 THR 37 HG21 THR 37 13.342 -3.835 -6.228 267 3HG2 THR 37 HG23 THR 37 13.096 -4.118 -7.951 268 H GLN 38 HN GLN 38 13.611 -8.681 -7.740 269 HA GLN 38 HA GLN 38 10.898 -8.437 -8.578 270 1HB GLN 38 HB2 GLN 38 12.811 -9.716 -9.726 271 2HB GLN 38 HB1 GLN 38 12.442 -11.036 -8.615 272 1HG GLN 38 HG2 GLN 38 9.946 -10.485 -9.491 273 2HG GLN 38 HG1 GLN 38 10.868 -10.003 -10.915 274 1HE2 GLN 38 HE22 GLN 38 12.284 -13.401 -11.238 275 2HE2 GLN 38 HE21 GLN 38 12.871 -11.808 -11.168 276 H GLU 39 HN GLU 39 12.351 -10.376 -6.001 277 HA GLU 39 HA GLU 39 9.919 -11.825 -5.397 278 1HB GLU 39 HB2 GLU 39 12.519 -11.367 -3.935 279 2HB GLU 39 HB1 GLU 39 11.176 -12.214 -3.165 280 1HG GLU 39 HG2 GLU 39 11.322 -13.404 -5.667 281 2HG GLU 39 HG1 GLU 39 13.015 -13.149 -5.242 282 H MET 40 HN MET 40 11.248 -8.726 -4.509 283 HA MET 40 HA MET 40 9.577 -8.289 -2.187 284 1HB MET 40 HB2 MET 40 11.761 -7.074 -2.996 285 2HB MET 40 HB1 MET 40 10.649 -6.093 -3.940 286 1HG MET 40 HG2 MET 40 10.126 -4.897 -2.130 287 2HG MET 40 HG1 MET 40 9.598 -6.352 -1.289 288 1HE MET 40 HE1 MET 40 10.221 -6.939 0.560 289 2HE MET 40 HE3 MET 40 11.649 -7.945 0.273 290 3HE MET 40 HE2 MET 40 11.698 -6.660 1.477 291 H LYS 41 HN LYS 41 9.522 -6.836 -5.443 292 HA LYS 41 HA LYS 41 6.964 -5.647 -5.269 293 1HB LYS 41 HB2 LYS 41 8.625 -5.293 -7.126 294 2HB LYS 41 HB1 LYS 41 8.188 -6.880 -7.759 295 1HG LYS 41 HG2 LYS 41 5.724 -5.689 -7.390 296 2HG LYS 41 HG1 LYS 41 6.727 -4.340 -7.925 297 1HD LYS 41 HD2 LYS 41 7.510 -6.385 -9.613 298 2HD LYS 41 HD1 LYS 41 5.779 -6.669 -9.433 299 1HE LYS 41 HE2 LYS 41 5.897 -5.154 -11.238 300 2HE LYS 41 HE1 LYS 41 5.532 -4.120 -9.857 301 1HZ LYS 41 HZ3 LYS 41 8.253 -4.299 -9.864 302 2HZ LYS 41 HZ2 LYS 41 7.860 -4.181 -11.512 303 3HZ LYS 41 HZ1 LYS 41 7.339 -2.984 -10.426 304 H ALA 42 HN ALA 42 7.903 -8.962 -6.078 305 HA ALA 42 HA ALA 42 5.324 -9.859 -6.934 306 1HB ALA 42 HB3 ALA 42 7.749 -11.245 -5.804 307 2HB ALA 42 HB2 ALA 42 6.262 -12.142 -6.113 308 3HB ALA 42 HB1 ALA 42 7.092 -11.327 -7.439 309 H ARG 43 HN ARG 43 6.901 -9.815 -3.740 310 HA ARG 43 HA ARG 43 4.829 -11.126 -2.298 311 1HB ARG 43 HB2 ARG 43 7.218 -9.605 -1.685 312 2HB ARG 43 HB1 ARG 43 5.912 -9.176 -0.581 313 1HG ARG 43 HG2 ARG 43 5.985 -12.044 -1.028 314 2HG ARG 43 HG1 ARG 43 7.541 -11.458 -0.438 315 1HD ARG 43 HD2 ARG 43 6.279 -10.211 1.367 316 2HD ARG 43 HD1 ARG 43 4.829 -11.073 0.851 317 HE ARG 43 HE ARG 43 6.618 -12.167 2.647 318 1HH1 ARG 43 HH11 ARG 43 7.913 -13.220 0.077 319 2HH1 ARG 43 HH12 ARG 43 7.162 -14.776 -0.053 320 1HH2 ARG 43 HH21 ARG 43 4.642 -14.043 2.213 321 2HH2 ARG 43 HH22 ARG 43 5.312 -15.242 1.159 322 H CYS 44 HN CYS 44 5.400 -7.608 -2.733 323 HA CYS 44 HA CYS 44 3.088 -6.729 -1.373 324 1HB CYS 44 HB2 CYS 44 4.717 -5.540 -3.594 325 2HB CYS 44 HB1 CYS 44 3.225 -4.757 -3.061 326 H CYS 45 HN CYS 45 3.426 -7.857 -4.752 327 HA CYS 45 HA CYS 45 0.742 -7.054 -5.496 328 1HB CYS 45 HB2 CYS 45 2.741 -8.965 -6.698 329 2HB CYS 45 HB1 CYS 45 1.109 -8.823 -7.342 330 H ARG 46 HN ARG 46 2.126 -9.903 -3.958 331 HA ARG 46 HA ARG 46 -0.222 -11.555 -4.288 332 1HB ARG 46 HB2 ARG 46 2.207 -12.199 -3.504 333 2HB ARG 46 HB1 ARG 46 1.599 -11.804 -1.904 334 1HG ARG 46 HG2 ARG 46 -0.434 -13.335 -3.065 335 2HG ARG 46 HG1 ARG 46 1.061 -14.152 -3.520 336 1HD ARG 46 HD2 ARG 46 1.619 -14.644 -1.338 337 2HD ARG 46 HD1 ARG 46 0.801 -13.219 -0.695 338 HE ARG 46 HE ARG 46 -1.113 -14.556 -0.426 339 1HH1 ARG 46 HH11 ARG 46 -0.947 -15.113 -3.511 340 2HH1 ARG 46 HH12 ARG 46 -1.057 -16.842 -3.495 341 1HH2 ARG 46 HH21 ARG 46 -0.426 -17.117 -0.097 342 2HH2 ARG 46 HH22 ARG 46 -0.761 -17.978 -1.562 343 H GLN 47 HN GLN 47 0.860 -9.143 -1.960 344 HA GLN 47 HA GLN 47 -1.395 -9.600 -0.143 345 1HB GLN 47 HB2 GLN 47 0.260 -7.079 -0.263 346 2HB GLN 47 HB1 GLN 47 -0.504 -7.827 1.140 347 1HG GLN 47 HG2 GLN 47 1.233 -9.777 0.051 348 2HG GLN 47 HG1 GLN 47 2.143 -8.266 0.083 349 1HE2 GLN 47 HE22 GLN 47 2.794 -8.837 3.499 350 2HE2 GLN 47 HE21 GLN 47 3.426 -8.528 1.955 351 H LEU 48 HN LEU 48 -0.731 -7.634 -2.941 352 HA LEU 48 HA LEU 48 -2.858 -5.731 -2.598 353 1HB LEU 48 HB2 LEU 48 -0.772 -5.651 -4.171 354 2HB LEU 48 HB1 LEU 48 -1.768 -6.589 -5.280 355 HG LEU 48 HG LEU 48 -1.874 -4.095 -5.639 356 1HD1 LEU 48 HD11 LEU 48 -3.831 -5.993 -5.850 357 2HD1 LEU 48 HD13 LEU 48 -4.626 -4.785 -4.839 358 3HD1 LEU 48 HD12 LEU 48 -3.991 -4.332 -6.421 359 1HD2 LEU 48 HD22 LEU 48 -2.119 -4.035 -2.877 360 2HD2 LEU 48 HD21 LEU 48 -2.435 -2.681 -3.963 361 3HD2 LEU 48 HD23 LEU 48 -3.762 -3.713 -3.431 362 H GLU 49 HN GLU 49 -2.593 -8.882 -4.224 363 HA GLU 49 HA GLU 49 -5.340 -8.746 -5.225 364 1HB GLU 49 HB2 GLU 49 -3.251 -10.203 -6.046 365 2HB GLU 49 HB1 GLU 49 -3.910 -11.358 -4.886 366 1HG GLU 49 HG2 GLU 49 -6.196 -10.704 -6.102 367 2HG GLU 49 HG1 GLU 49 -5.094 -10.346 -7.433 368 H ALA 50 HN ALA 50 -3.631 -10.464 -2.599 369 HA ALA 50 HA ALA 50 -5.740 -11.887 -1.441 370 1HB ALA 50 HB1 ALA 50 -3.190 -11.235 -0.636 371 2HB ALA 50 HB3 ALA 50 -4.168 -10.335 0.522 372 3HB ALA 50 HB2 ALA 50 -4.363 -12.081 0.373 373 H ILE 51 HN ILE 51 -4.926 -8.471 -1.132 374 HA ILE 51 HA ILE 51 -7.239 -7.792 0.493 375 HB ILE 51 HB ILE 51 -5.467 -6.007 -1.209 376 1HG1 ILE 51 HG12 ILE 51 -5.278 -6.408 1.778 377 2HG1 ILE 51 HG11 ILE 51 -4.404 -7.461 0.667 378 1HG2 ILE 51 HG22 ILE 51 -7.867 -5.364 -0.122 379 2HG2 ILE 51 HG21 ILE 51 -6.815 -5.045 1.257 380 3HG2 ILE 51 HG23 ILE 51 -6.540 -4.214 -0.272 381 1HD1 ILE 51 HD12 ILE 51 -4.215 -4.463 0.421 382 2HD1 ILE 51 HD11 ILE 51 -3.184 -5.347 1.548 383 3HD1 ILE 51 HD13 ILE 51 -3.098 -5.690 -0.180 384 HA PRO 52 HA PRO 52 -9.730 -8.365 -3.190 385 1HB PRO 52 HB2 PRO 52 -12.135 -7.815 -1.939 386 2HB PRO 52 HB1 PRO 52 -11.343 -9.401 -1.950 387 1HG PRO 52 HG2 PRO 52 -11.408 -7.341 0.232 388 2HG PRO 52 HG1 PRO 52 -11.394 -9.110 0.359 389 1HD PRO 52 HD2 PRO 52 -9.152 -7.550 0.777 390 2HD PRO 52 HD1 PRO 52 -9.081 -9.234 0.212 391 H ALA 53 HN ALA 53 -10.757 -6.982 -4.635 392 HA ALA 53 HA ALA 53 -9.960 -4.440 -5.041 393 1HB ALA 53 HB2 ALA 53 -12.006 -6.038 -6.049 394 2HB ALA 53 HB1 ALA 53 -12.784 -4.515 -5.613 395 3HB ALA 53 HB3 ALA 53 -11.415 -4.520 -6.726 396 H TYR 54 HN TYR 54 -12.361 -5.336 -2.651 397 HA TYR 54 HA TYR 54 -13.140 -2.566 -2.149 398 1HB TYR 54 HB2 TYR 54 -13.856 -5.243 -1.121 399 2HB TYR 54 HB1 TYR 54 -13.944 -3.945 0.070 400 HD1 TYR 54 HD1 TYR 54 -14.446 -3.508 -3.577 401 HD2 TYR 54 HD2 TYR 54 -16.333 -3.807 0.269 402 HE1 TYR 54 HE1 TYR 54 -16.586 -2.741 -4.568 403 HE2 TYR 54 HE2 TYR 54 -18.473 -3.039 -0.720 404 HH TYR 54 HH TYR 54 -19.340 -3.187 -3.563 405 H CYS 55 HN CYS 55 -12.027 -1.163 -0.893 406 HA CYS 55 HA CYS 55 -10.768 -0.386 0.945 407 1HB CYS 55 HB2 CYS 55 -10.094 -3.235 1.661 408 2HB CYS 55 HB1 CYS 55 -10.168 -1.822 2.713 409 H ARG 56 HN ARG 56 -9.621 -2.078 -1.711 410 HA ARG 56 HA ARG 56 -6.939 -2.657 -1.193 411 1HB ARG 56 HB2 ARG 56 -8.479 -1.953 -3.548 412 2HB ARG 56 HB1 ARG 56 -6.865 -1.246 -3.632 413 1HG ARG 56 HG2 ARG 56 -6.280 -3.309 -4.410 414 2HG ARG 56 HG1 ARG 56 -6.259 -3.726 -2.699 415 1HD ARG 56 HD2 ARG 56 -8.093 -5.025 -2.877 416 2HD ARG 56 HD1 ARG 56 -8.936 -3.829 -3.847 417 HE ARG 56 HE ARG 56 -7.482 -6.138 -4.869 418 1HH1 ARG 56 HH11 ARG 56 -6.273 -3.629 -6.174 419 2HH1 ARG 56 HH12 ARG 56 -7.249 -3.513 -7.597 420 1HH2 ARG 56 HH21 ARG 56 -9.661 -5.722 -6.456 421 2HH2 ARG 56 HH22 ARG 56 -9.172 -4.686 -7.749 422 H CYS 57 HN CYS 57 -7.340 0.369 -2.980 423 HA CYS 57 HA CYS 57 -5.153 1.748 -2.180 424 1HB CYS 57 HB2 CYS 57 -7.970 2.772 -2.511 425 2HB CYS 57 HB1 CYS 57 -6.620 3.867 -2.199 426 H GLU 58 HN GLU 58 -8.156 1.998 -0.156 427 HA GLU 58 HA GLU 58 -7.422 3.550 1.908 428 1HB GLU 58 HB2 GLU 58 -9.463 2.059 1.794 429 2HB GLU 58 HB1 GLU 58 -8.460 0.763 2.449 430 1HG GLU 58 HG2 GLU 58 -8.087 1.933 4.483 431 2HG GLU 58 HG1 GLU 58 -8.678 3.451 3.807 432 H ALA 59 HN ALA 59 -6.312 0.132 1.761 433 HA ALA 59 HA ALA 59 -4.829 -0.165 4.014 434 1HB ALA 59 HB3 ALA 59 -4.546 -1.112 1.276 435 2HB ALA 59 HB2 ALA 59 -2.992 -1.004 2.103 436 3HB ALA 59 HB1 ALA 59 -4.292 -1.979 2.789 437 H VAL 60 HN VAL 60 -3.490 1.467 1.149 438 HA VAL 60 HA VAL 60 -1.057 2.297 2.305 439 HB VAL 60 HB VAL 60 -2.720 3.852 0.300 440 1HG1 VAL 60 HG13 VAL 60 -0.722 4.985 1.413 441 2HG1 VAL 60 HG12 VAL 60 0.287 3.765 0.637 442 3HG1 VAL 60 HG11 VAL 60 -0.657 4.884 -0.346 443 1HG2 VAL 60 HG22 VAL 60 -1.697 1.249 0.090 444 2HG2 VAL 60 HG21 VAL 60 -2.216 2.280 -1.243 445 3HG2 VAL 60 HG23 VAL 60 -0.521 2.260 -0.749 446 H ARG 61 HN ARG 61 -4.188 4.027 2.220 447 HA ARG 61 HA ARG 61 -3.362 6.331 3.660 448 1HB ARG 61 HB2 ARG 61 -5.900 5.050 2.953 449 2HB ARG 61 HB1 ARG 61 -5.970 5.893 4.501 450 1HG ARG 61 HG2 ARG 61 -4.596 7.337 2.301 451 2HG ARG 61 HG1 ARG 61 -6.340 7.140 2.124 452 1HD ARG 61 HD2 ARG 61 -6.067 7.859 4.786 453 2HD ARG 61 HD1 ARG 61 -4.838 8.837 3.984 454 HE ARG 61 HE ARG 61 -7.385 8.925 2.588 455 1HH1 ARG 61 HH21 ARG 61 -5.161 11.036 3.416 456 2HH1 ARG 61 HH22 ARG 61 -6.161 12.150 4.287 457 1HH2 ARG 61 HH11 ARG 61 -8.857 9.980 4.495 458 2HH2 ARG 61 HH12 ARG 61 -8.252 11.553 4.896 459 H ILE 62 HN ILE 62 -4.069 3.093 4.740 460 HA ILE 62 HA ILE 62 -4.293 3.784 7.571 461 HB ILE 62 HB ILE 62 -4.063 1.220 5.991 462 1HG1 ILE 62 HG12 ILE 62 -6.278 2.122 6.058 463 2HG1 ILE 62 HG11 ILE 62 -6.254 0.805 7.228 464 1HG2 ILE 62 HG23 ILE 62 -3.595 1.633 8.916 465 2HG2 ILE 62 HG22 ILE 62 -4.489 0.201 8.406 466 3HG2 ILE 62 HG21 ILE 62 -2.851 0.477 7.813 467 1HD1 ILE 62 HD12 ILE 62 -5.451 2.969 8.748 468 2HD1 ILE 62 HD11 ILE 62 -6.643 3.681 7.661 469 3HD1 ILE 62 HD13 ILE 62 -7.090 2.320 8.689 470 H LEU 63 HN LEU 63 -1.683 2.852 5.390 471 HA LEU 63 HA LEU 63 0.152 2.360 7.600 472 1HB LEU 63 HB2 LEU 63 0.358 1.359 5.255 473 2HB LEU 63 HB1 LEU 63 0.921 2.947 4.731 474 HG LEU 63 HG LEU 63 2.201 1.682 7.128 475 1HD1 LEU 63 HD11 LEU 63 2.168 0.528 4.467 476 2HD1 LEU 63 HD13 LEU 63 3.802 1.028 4.906 477 3HD1 LEU 63 HD12 LEU 63 2.916 -0.095 5.937 478 1HD2 LEU 63 HD23 LEU 63 2.607 3.949 5.401 479 2HD2 LEU 63 HD22 LEU 63 3.486 3.515 6.867 480 3HD2 LEU 63 HD21 LEU 63 4.017 2.893 5.305 481 H MET 64 HN MET 64 -0.503 5.050 5.390 482 HA MET 64 HA MET 64 1.611 6.699 6.523 483 1HB MET 64 HB2 MET 64 0.861 7.031 4.212 484 2HB MET 64 HB1 MET 64 -0.779 7.373 4.762 485 1HG MET 64 HG2 MET 64 0.472 9.459 4.279 486 2HG MET 64 HG1 MET 64 0.014 9.350 5.978 487 1HE MET 64 HE2 MET 64 1.259 11.026 6.481 488 2HE MET 64 HE1 MET 64 2.305 10.327 7.715 489 3HE MET 64 HE3 MET 64 3.002 11.263 6.385 490 H ASP 65 HN ASP 65 -1.981 6.836 6.656 491 HA ASP 65 HA ASP 65 -1.851 8.823 8.803 492 1HB ASP 65 HB2 ASP 65 -4.174 7.502 7.362 493 2HB ASP 65 HB1 ASP 65 -4.424 8.375 8.874 494 H GLY 66 HN GLY 66 -1.976 5.360 8.639 495 1HA GLY 66 HA2 GLY 66 -1.572 3.933 10.499 496 2HA GLY 66 HA1 GLY 66 -1.913 5.285 11.579 497 H VAL 67 HN VAL 67 -2.991 2.503 11.508 498 HA VAL 67 HA VAL 67 -5.904 3.144 11.257 499 HB VAL 67 HB VAL 67 -5.318 1.385 9.704 500 1HG1 VAL 67 HG12 VAL 67 -3.209 0.744 11.013 501 2HG1 VAL 67 HG11 VAL 67 -4.266 -0.234 12.030 502 3HG1 VAL 67 HG13 VAL 67 -4.121 -0.590 10.309 503 1HG2 VAL 67 HG21 VAL 67 -7.433 1.177 11.028 504 2HG2 VAL 67 HG23 VAL 67 -6.794 -0.373 10.483 505 3HG2 VAL 67 HG22 VAL 67 -6.572 0.131 12.158 506 H VAL 68 HN VAL 68 -7.292 2.067 12.888 507 HA VAL 68 HA VAL 68 -5.805 1.726 15.450 508 HB VAL 68 HB VAL 68 -8.478 2.964 14.824 509 1HG1 VAL 68 HG12 VAL 68 -7.541 1.885 17.504 510 2HG1 VAL 68 HG11 VAL 68 -8.902 2.985 17.298 511 3HG1 VAL 68 HG13 VAL 68 -8.964 1.365 16.604 512 1HG2 VAL 68 HG23 VAL 68 -5.845 3.765 15.873 513 2HG2 VAL 68 HG22 VAL 68 -7.084 4.740 15.081 514 3HG2 VAL 68 HG21 VAL 68 -7.203 4.391 16.806 515 H THR 69 HN THR 69 -6.734 0.216 16.975 516 HA THR 69 HA THR 69 -8.121 -2.056 15.634 517 HB THR 69 HB THR 69 -6.915 -3.512 17.243 518 HG1 THR 69 HG1 THR 69 -5.644 -2.666 18.726 519 1HG2 THR 69 HG22 THR 69 -5.996 -2.599 14.935 520 2HG2 THR 69 HG21 THR 69 -4.808 -1.809 15.972 521 3HG2 THR 69 HG23 THR 69 -4.965 -3.565 15.992 522 H SER 70 HN SER 70 -9.503 -3.329 17.027 523 HA SER 70 HA SER 70 -11.296 -1.733 18.573 524 1HB SER 70 HB2 SER 70 -11.994 -3.786 17.383 525 2HB SER 70 HB1 SER 70 -11.015 -4.747 18.486 526 HG SER 70 HG SER 70 -13.204 -4.643 19.142 527 H SER 71 HN SER 71 -8.494 -3.573 19.408 528 HA SER 71 HA SER 71 -9.060 -3.796 22.240 529 1HB SER 71 HB2 SER 71 -6.474 -4.087 22.311 530 2HB SER 71 HB1 SER 71 -7.428 -5.315 21.484 531 HG SER 71 HG SER 71 -5.466 -4.037 20.466 532 H GLY 72 HN GLY 72 -8.131 -1.218 20.214 533 1HA GLY 72 HA2 GLY 72 -8.109 1.074 21.068 534 2HA GLY 72 HA1 GLY 72 -7.562 0.435 22.623 535 H GLN 73 HN GLN 73 -5.955 -1.165 20.105 536 HA GLN 73 HA GLN 73 -3.541 0.512 20.628 537 1HB GLN 73 HB2 GLN 73 -3.960 -2.335 19.728 538 2HB GLN 73 HB1 GLN 73 -2.415 -1.527 19.465 539 1HG GLN 73 HG2 GLN 73 -1.838 -1.784 21.626 540 2HG GLN 73 HG1 GLN 73 -3.351 -1.055 22.164 541 1HE2 GLN 73 HE22 GLN 73 -3.100 -5.145 21.862 542 2HE2 GLN 73 HE21 GLN 73 -1.971 -4.179 21.043 543 H HIS 74 HN HIS 74 -2.175 1.103 18.767 544 HA HIS 74 HA HIS 74 -3.774 1.309 16.255 545 1HB HIS 74 HB2 HIS 74 -1.685 3.128 17.466 546 2HB HIS 74 HB1 HIS 74 -2.256 3.290 15.819 547 HD1 HIS 74 HD1 HIS 74 -3.477 5.521 16.180 548 HD2 HIS 74 HD2 HIS 74 -4.779 2.508 18.749 549 HE1 HIS 74 HE1 HIS 74 -5.567 6.396 17.312 550 H GLU 75 HN GLU 75 -2.540 1.110 14.265 551 HA GLU 75 HA GLU 75 0.161 -0.083 14.572 552 1HB GLU 75 HB2 GLU 75 -1.828 -1.358 12.713 553 2HB GLU 75 HB1 GLU 75 -0.342 -2.032 13.387 554 1HG GLU 75 HG2 GLU 75 -2.777 -1.327 15.042 555 2HG GLU 75 HG1 GLU 75 -2.418 -2.951 14.455 556 H GLY 76 HN GLY 76 0.756 -0.692 12.025 557 1HA GLY 76 HA2 GLY 76 1.542 0.354 10.071 558 2HA GLY 76 HA1 GLY 76 -0.068 1.079 9.983 559 H ARG 77 HN ARG 77 0.680 3.157 9.369 560 HA ARG 77 HA ARG 77 1.572 5.316 9.739 561 1HB ARG 77 HB2 ARG 77 -0.040 4.823 11.764 562 2HB ARG 77 HB1 ARG 77 1.463 4.760 12.684 563 1HG ARG 77 HG2 ARG 77 2.057 7.006 11.657 564 2HG ARG 77 HG1 ARG 77 0.404 7.072 11.045 565 1HD ARG 77 HD2 ARG 77 -0.406 6.735 13.406 566 2HD ARG 77 HD1 ARG 77 1.265 6.895 13.944 567 HE ARG 77 HE ARG 77 1.220 9.221 13.065 568 1HH1 ARG 77 HH21 ARG 77 -0.684 9.992 11.386 569 2HH1 ARG 77 HH22 ARG 77 -2.133 10.315 12.280 570 1HH2 ARG 77 HH11 ARG 77 -1.106 8.565 15.092 571 2HH2 ARG 77 HH12 ARG 77 -2.372 9.506 14.376 572 H LEU 78 HN LEU 78 3.414 2.843 9.810 573 HA LEU 78 HA LEU 78 5.537 3.747 11.633 574 1HB LEU 78 HB2 LEU 78 4.804 1.275 10.413 575 2HB LEU 78 HB1 LEU 78 6.441 1.675 9.890 576 HG LEU 78 HG LEU 78 6.900 2.216 12.371 577 1HD1 LEU 78 HD12 LEU 78 4.426 2.168 12.938 578 2HD1 LEU 78 HD11 LEU 78 4.491 0.417 12.741 579 3HD1 LEU 78 HD13 LEU 78 5.449 1.199 13.998 580 1HD2 LEU 78 HD21 LEU 78 6.298 -0.639 11.532 581 2HD2 LEU 78 HD23 LEU 78 7.795 0.232 11.201 582 3HD2 LEU 78 HD22 LEU 78 7.355 -0.165 12.863 583 H LEU 79 HN LEU 79 4.626 4.432 8.391 584 HA LEU 79 HA LEU 79 7.177 4.611 7.168 585 1HB LEU 79 HB2 LEU 79 6.166 5.880 5.483 586 2HB LEU 79 HB1 LEU 79 4.819 4.955 6.123 587 HG LEU 79 HG LEU 79 4.028 7.178 5.854 588 1HD1 LEU 79 HD12 LEU 79 4.636 6.417 8.682 589 2HD1 LEU 79 HD11 LEU 79 3.939 7.999 8.360 590 3HD1 LEU 79 HD13 LEU 79 3.087 6.541 7.859 591 1HD2 LEU 79 HD21 LEU 79 6.741 7.875 6.397 592 2HD2 LEU 79 HD23 LEU 79 5.445 8.907 5.796 593 3HD2 LEU 79 HD22 LEU 79 5.713 8.751 7.532 594 H GLN 80 HN GLN 80 8.902 5.837 7.690 595 HA GLN 80 HA GLN 80 8.529 8.548 8.769 596 1HB GLN 80 HB2 GLN 80 9.742 6.309 10.409 597 2HB GLN 80 HB1 GLN 80 9.944 8.019 10.791 598 1HG GLN 80 HG2 GLN 80 7.346 8.123 10.660 599 2HG GLN 80 HG1 GLN 80 7.424 6.370 10.830 600 1HE2 GLN 80 HE22 GLN 80 7.700 6.686 14.318 601 2HE2 GLN 80 HE21 GLN 80 7.029 5.869 12.990 602 H ASP 81 HN ASP 81 10.866 9.320 9.480 603 HA ASP 81 HA ASP 81 12.438 9.337 7.100 604 1HB ASP 81 HB2 ASP 81 13.150 10.178 9.929 605 2HB ASP 81 HB1 ASP 81 14.115 10.538 8.494 606 H LEU 82 HN LEU 82 13.354 7.502 6.425 607 HA LEU 82 HA LEU 82 14.698 5.655 8.302 608 1HB LEU 82 HB2 LEU 82 13.938 5.601 5.383 609 2HB LEU 82 HB1 LEU 82 15.137 4.468 5.984 610 HG LEU 82 HG LEU 82 12.394 4.819 7.220 611 1HD1 LEU 82 HD12 LEU 82 13.351 3.174 4.934 612 2HD1 LEU 82 HD11 LEU 82 12.319 2.359 6.108 613 3HD1 LEU 82 HD13 LEU 82 11.736 3.798 5.272 614 1HD2 LEU 82 HD23 LEU 82 14.556 3.790 8.410 615 2HD2 LEU 82 HD22 LEU 82 12.958 3.080 8.636 616 3HD2 LEU 82 HD21 LEU 82 14.084 2.367 7.481 617 HA PRO 83 HA PRO 83 18.705 7.211 7.495 618 1HB PRO 83 HB2 PRO 83 20.210 5.016 6.747 619 2HB PRO 83 HB1 PRO 83 19.738 5.384 8.415 620 1HG PRO 83 HG2 PRO 83 18.583 3.359 6.535 621 2HG PRO 83 HG1 PRO 83 18.717 3.302 8.301 622 1HD PRO 83 HD2 PRO 83 16.374 3.892 6.938 623 2HD PRO 83 HD1 PRO 83 16.696 4.376 8.613 624 H GLY 84 HN GLY 84 18.477 8.562 5.740 625 1HA GLY 84 HA2 GLY 84 19.274 9.236 3.588 626 2HA GLY 84 HA1 GLY 84 19.448 7.539 3.141 627 H CYS 85 HN CYS 85 16.431 8.262 4.645 628 HA CYS 85 HA CYS 85 15.099 8.767 2.031 629 1HB CYS 85 HB2 CYS 85 14.003 6.637 3.842 630 2HB CYS 85 HB1 CYS 85 13.722 6.880 2.121 631 HA PRO 86 HA PRO 86 13.262 11.152 5.489 632 1HB PRO 86 HB2 PRO 86 12.681 13.385 3.977 633 2HB PRO 86 HB1 PRO 86 14.215 13.119 4.803 634 1HG PRO 86 HG2 PRO 86 13.581 12.896 1.903 635 2HG PRO 86 HG1 PRO 86 15.131 13.254 2.683 636 1HD PRO 86 HD2 PRO 86 14.380 10.772 1.582 637 2HD PRO 86 HD1 PRO 86 15.752 11.045 2.681 638 H ARG 87 HN ARG 87 11.026 11.843 5.862 639 HA ARG 87 HA ARG 87 8.977 10.320 4.801 640 1HB ARG 87 HB2 ARG 87 8.802 13.237 5.620 641 2HB ARG 87 HB1 ARG 87 7.449 12.120 5.513 642 1HG ARG 87 HG2 ARG 87 9.338 10.810 7.106 643 2HG ARG 87 HG1 ARG 87 9.363 12.485 7.655 644 1HD ARG 87 HD2 ARG 87 6.909 10.721 7.405 645 2HD ARG 87 HD1 ARG 87 7.664 11.251 8.909 646 HE ARG 87 HE ARG 87 6.257 13.069 6.999 647 1HH1 ARG 87 HH11 ARG 87 7.872 14.843 8.441 648 2HH1 ARG 87 HH12 ARG 87 7.071 15.094 9.956 649 1HH2 ARG 87 HH21 ARG 87 5.071 12.279 9.668 650 2HH2 ARG 87 HH22 ARG 87 5.486 13.644 10.650 651 H GLN 88 HN GLN 88 10.533 13.144 3.483 652 HA GLN 88 HA GLN 88 8.621 13.983 1.574 653 1HB GLN 88 HB2 GLN 88 10.648 15.265 2.087 654 2HB GLN 88 HB1 GLN 88 11.641 14.017 1.334 655 1HG GLN 88 HG2 GLN 88 9.903 14.497 -0.686 656 2HG GLN 88 HG1 GLN 88 9.928 16.089 0.074 657 1HE2 GLN 88 HE22 GLN 88 12.991 15.082 -2.259 658 2HE2 GLN 88 HE21 GLN 88 11.479 14.311 -2.281 659 H VAL 89 HN VAL 89 11.470 11.916 0.808 660 HA VAL 89 HA VAL 89 10.579 11.247 -1.795 661 HB VAL 89 HB VAL 89 12.334 9.676 0.099 662 1HG1 VAL 89 HG11 VAL 89 11.462 8.558 -2.046 663 2HG1 VAL 89 HG13 VAL 89 12.422 9.753 -2.920 664 3HG1 VAL 89 HG12 VAL 89 13.213 8.607 -1.838 665 1HG2 VAL 89 HG22 VAL 89 12.765 12.060 -1.654 666 2HG2 VAL 89 HG21 VAL 89 13.321 11.770 -0.005 667 3HG2 VAL 89 HG23 VAL 89 14.092 10.936 -1.354 668 H GLN 90 HN GLN 90 10.071 9.661 1.324 669 HA GLN 90 HA GLN 90 8.790 7.315 0.285 670 1HB GLN 90 HB2 GLN 90 8.936 8.686 2.933 671 2HB GLN 90 HB1 GLN 90 7.616 7.540 2.694 672 1HG GLN 90 HG2 GLN 90 9.707 6.500 3.640 673 2HG GLN 90 HG1 GLN 90 9.168 5.772 2.126 674 1HE2 GLN 90 HE22 GLN 90 12.444 8.266 1.937 675 2HE2 GLN 90 HE21 GLN 90 11.214 8.611 3.055 676 H ARG 91 HN ARG 91 7.701 10.582 0.844 677 HA ARG 91 HA ARG 91 4.861 9.919 0.631 678 1HB ARG 91 HB2 ARG 91 6.128 12.052 1.676 679 2HB ARG 91 HB1 ARG 91 5.797 12.688 0.063 680 1HG ARG 91 HG2 ARG 91 3.871 13.267 1.307 681 2HG ARG 91 HG1 ARG 91 3.389 11.816 0.427 682 1HD ARG 91 HD2 ARG 91 4.553 10.828 2.760 683 2HD ARG 91 HD1 ARG 91 3.634 12.232 3.304 684 HE ARG 91 HE ARG 91 2.501 9.791 2.089 685 1HH1 ARG 91 HH11 ARG 91 0.488 10.834 0.924 686 2HH1 ARG 91 HH12 ARG 91 -0.516 11.701 2.038 687 1HH2 ARG 91 HH21 ARG 91 1.909 11.862 4.510 688 2HH2 ARG 91 HH22 ARG 91 0.289 12.282 4.067 689 H ALA 92 HN ALA 92 7.425 10.968 -1.563 690 HA ALA 92 HA ALA 92 5.678 11.569 -3.778 691 1HB ALA 92 HB1 ALA 92 8.109 12.298 -3.498 692 2HB ALA 92 HB3 ALA 92 8.557 10.660 -3.973 693 3HB ALA 92 HB2 ALA 92 7.670 11.692 -5.095 694 H PHE 93 HN PHE 93 7.700 8.705 -3.020 695 HA PHE 93 HA PHE 93 6.546 7.191 -5.233 696 1HB PHE 93 HB2 PHE 93 8.817 6.687 -4.540 697 2HB PHE 93 HB1 PHE 93 8.277 6.341 -2.896 698 HD1 PHE 93 HD2 PHE 93 6.349 5.422 -5.905 699 HD2 PHE 93 HD1 PHE 93 9.012 4.027 -2.841 700 HE1 PHE 93 HE2 PHE 93 5.871 3.078 -6.558 701 HE2 PHE 93 HE1 PHE 93 8.534 1.683 -3.490 702 HZ PHE 93 HZ PHE 93 6.962 1.208 -5.349 703 H ALA 94 HN ALA 94 5.820 7.639 -1.854 704 HA ALA 94 HA ALA 94 4.513 5.411 -1.011 705 1HB ALA 94 HB1 ALA 94 4.276 8.224 -0.481 706 2HB ALA 94 HB3 ALA 94 2.670 7.497 -0.475 707 3HB ALA 94 HB2 ALA 94 3.926 6.867 0.590 708 HA PRO 95 HA PRO 95 0.533 6.367 -3.480 709 1HB PRO 95 HB2 PRO 95 0.726 8.257 -5.479 710 2HB PRO 95 HB1 PRO 95 0.192 8.607 -3.826 711 1HG PRO 95 HG2 PRO 95 2.823 9.192 -5.116 712 2HG PRO 95 HG1 PRO 95 1.997 10.058 -3.811 713 1HD PRO 95 HD2 PRO 95 4.139 8.293 -3.461 714 2HD PRO 95 HD1 PRO 95 3.025 8.798 -2.179 715 H LYS 96 HN LYS 96 -0.038 6.219 -6.074 716 HA LYS 96 HA LYS 96 0.397 5.097 -8.107 717 1HB LYS 96 HB2 LYS 96 2.780 6.253 -7.627 718 2HB LYS 96 HB1 LYS 96 3.246 4.566 -7.401 719 1HG LYS 96 HG2 LYS 96 2.849 4.013 -9.602 720 2HG LYS 96 HG1 LYS 96 1.576 5.220 -9.785 721 1HD LYS 96 HD2 LYS 96 4.429 6.081 -9.365 722 2HD LYS 96 HD1 LYS 96 3.864 5.630 -10.973 723 1HE LYS 96 HE2 LYS 96 2.332 7.604 -9.285 724 2HE LYS 96 HE1 LYS 96 3.680 8.123 -10.296 725 1HZ LYS 96 HZ2 LYS 96 1.428 6.512 -11.344 726 2HZ LYS 96 HZ1 LYS 96 1.415 8.211 -11.346 727 3HZ LYS 96 HZ3 LYS 96 2.598 7.373 -12.225 728 H LEU 97 HN LEU 97 -0.352 3.843 -5.570 729 HA LEU 97 HA LEU 97 1.074 1.338 -5.287 730 1HB LEU 97 HB2 LEU 97 -0.607 2.713 -3.680 731 2HB LEU 97 HB1 LEU 97 -1.725 1.511 -4.328 732 HG LEU 97 HG LEU 97 -0.741 0.571 -2.340 733 1HD1 LEU 97 HD12 LEU 97 -0.829 -0.755 -4.617 734 2HD1 LEU 97 HD11 LEU 97 0.928 -0.690 -4.493 735 3HD1 LEU 97 HD13 LEU 97 -0.019 -1.462 -3.221 736 1HD2 LEU 97 HD23 LEU 97 1.784 1.653 -3.553 737 2HD2 LEU 97 HD22 LEU 97 1.208 1.772 -1.890 738 3HD2 LEU 97 HD21 LEU 97 1.880 0.253 -2.485 739 H VAL 98 HN VAL 98 -2.425 1.645 -6.090 740 HA VAL 98 HA VAL 98 -2.336 -0.914 -7.458 741 HB VAL 98 HB VAL 98 -4.656 -0.730 -7.654 742 1HG1 VAL 98 HG13 VAL 98 -3.523 -0.398 -5.268 743 2HG1 VAL 98 HG12 VAL 98 -4.360 1.151 -5.357 744 3HG1 VAL 98 HG11 VAL 98 -5.275 -0.353 -5.463 745 1HG2 VAL 98 HG23 VAL 98 -4.044 2.099 -8.106 746 2HG2 VAL 98 HG22 VAL 98 -5.426 1.153 -8.659 747 3HG2 VAL 98 HG21 VAL 98 -5.437 1.873 -7.049 748 H THR 99 HN THR 99 -0.765 1.428 -8.654 749 HA THR 99 HA THR 99 -2.196 1.654 -11.226 750 HB THR 99 HB THR 99 -0.626 3.369 -11.821 751 HG1 THR 99 HG1 THR 99 1.274 3.611 -10.809 752 1HG2 THR 99 HG22 THR 99 -2.330 3.654 -9.789 753 2HG2 THR 99 HG21 THR 99 -0.828 3.923 -8.903 754 3HG2 THR 99 HG23 THR 99 -1.239 4.952 -10.275 755 H GLU 100 HN GLU 100 -0.696 1.330 -13.265 756 HA GLU 100 HA GLU 100 0.232 -1.355 -13.247 757 1HB GLU 100 HB2 GLU 100 0.052 0.814 -15.124 758 2HB GLU 100 HB1 GLU 100 1.621 0.025 -15.293 759 1HG GLU 100 HG2 GLU 100 0.674 -2.048 -15.813 760 2HG GLU 100 HG1 GLU 100 -0.869 -1.641 -15.059 761 H VAL 101 HN VAL 101 1.816 1.195 -11.633 762 HA VAL 101 HA VAL 101 4.498 0.129 -12.315 763 HB VAL 101 HB VAL 101 3.838 2.444 -10.483 764 1HG1 VAL 101 HG11 VAL 101 6.294 1.379 -11.857 765 2HG1 VAL 101 HG13 VAL 101 6.181 3.092 -11.456 766 3HG1 VAL 101 HG12 VAL 101 6.092 1.879 -10.179 767 1HG2 VAL 101 HG23 VAL 101 3.538 2.198 -13.363 768 2HG2 VAL 101 HG22 VAL 101 3.116 3.551 -12.313 769 3HG2 VAL 101 HG21 VAL 101 4.752 3.412 -12.959 770 H GLU 102 HN GLU 102 2.142 -0.806 -10.257 771 HA GLU 102 HA GLU 102 4.156 -1.806 -8.319 772 1HB GLU 102 HB2 GLU 102 2.055 0.136 -7.734 773 2HB GLU 102 HB1 GLU 102 1.948 -1.297 -6.710 774 1HG GLU 102 HG2 GLU 102 4.618 -0.005 -7.162 775 2HG GLU 102 HG1 GLU 102 3.502 0.694 -5.989 776 H CYS 103 HN CYS 103 0.672 -2.035 -7.825 777 HA CYS 103 HA CYS 103 0.666 -4.788 -8.952 778 1HB CYS 103 HB2 CYS 103 -0.010 -4.084 -6.079 779 2HB CYS 103 HB1 CYS 103 -0.302 -5.656 -6.825 780 H ASN 104 HN ASN 104 -0.650 -2.372 -9.879 781 HA ASN 104 HA ASN 104 -3.144 -1.671 -9.135 782 1HB ASN 104 HB2 ASN 104 -3.796 -1.562 -11.521 783 2HB ASN 104 HB1 ASN 104 -2.159 -0.958 -11.257 784 1HD2 ASN 104 HD22 ASN 104 -0.594 -3.699 -12.953 785 2HD2 ASN 104 HD21 ASN 104 -0.343 -2.491 -11.787 786 H LEU 105 HN LEU 105 -2.548 -4.802 -10.825 787 HA LEU 105 HA LEU 105 -4.055 -6.615 -11.077 788 1HB LEU 105 HB2 LEU 105 -4.285 -5.741 -8.204 789 2HB LEU 105 HB1 LEU 105 -5.264 -7.076 -8.803 790 HG LEU 105 HG LEU 105 -2.934 -7.584 -7.731 791 1HD1 LEU 105 HD12 LEU 105 -3.837 -8.726 -10.387 792 2HD1 LEU 105 HD11 LEU 105 -2.635 -9.480 -9.338 793 3HD1 LEU 105 HD13 LEU 105 -4.296 -9.288 -8.779 794 1HD2 LEU 105 HD21 LEU 105 -2.178 -6.628 -10.507 795 2HD2 LEU 105 HD23 LEU 105 -1.541 -6.062 -8.964 796 3HD2 LEU 105 HD22 LEU 105 -1.152 -7.681 -9.537 797 H ALA 106 HN ALA 106 -5.179 -3.804 -11.667 798 HA ALA 106 HA ALA 106 -7.263 -2.915 -12.257 799 1HB ALA 106 HB3 ALA 106 -7.423 -5.354 -13.170 800 2HB ALA 106 HB2 ALA 106 -8.464 -5.639 -11.776 801 3HB ALA 106 HB1 ALA 106 -8.915 -4.433 -12.981 802 H THR 107 HN THR 107 -8.416 -1.636 -10.869 803 HA THR 107 HA THR 107 -8.941 -2.656 -8.126 804 HB THR 107 HB THR 107 -9.066 -0.411 -7.455 805 HG1 THR 107 HG1 THR 107 -9.501 0.452 -10.106 806 1HG2 THR 107 HG21 THR 107 -6.991 -1.100 -9.149 807 2HG2 THR 107 HG23 THR 107 -7.552 0.435 -9.809 808 3HG2 THR 107 HG22 THR 107 -7.045 0.333 -8.123 809 H ILE 108 HN ILE 108 -11.239 -1.393 -7.376 810 HA ILE 108 HA ILE 108 -13.313 -2.955 -8.547 811 HB ILE 108 HB ILE 108 -13.413 -1.840 -6.288 812 1HG1 ILE 108 HG12 ILE 108 -15.848 -1.114 -6.569 813 2HG1 ILE 108 HG11 ILE 108 -15.639 -1.414 -8.295 814 1HG2 ILE 108 HG23 ILE 108 -13.187 0.512 -8.007 815 2HG2 ILE 108 HG22 ILE 108 -14.562 0.619 -6.909 816 3HG2 ILE 108 HG21 ILE 108 -12.939 0.368 -6.268 817 1HD1 ILE 108 HD12 ILE 108 -14.916 -3.516 -6.258 818 2HD1 ILE 108 HD11 ILE 108 -16.571 -3.347 -6.841 819 3HD1 ILE 108 HD13 ILE 108 -15.271 -3.722 -7.972 820 H HIS 109 HN HIS 109 -11.862 0.002 -9.531 821 HA HIS 109 HA HIS 109 -14.039 0.920 -11.240 822 1HB HIS 109 HB2 HIS 109 -11.115 1.699 -11.114 823 2HB HIS 109 HB1 HIS 109 -12.371 2.573 -11.990 824 HD1 HIS 109 HD1 HIS 109 -13.988 4.029 -10.619 825 HD2 HIS 109 HD2 HIS 109 -11.295 1.891 -8.268 826 HE1 HIS 109 HE1 HIS 109 -14.187 4.967 -8.275 827 H GLY 110 HN GLY 110 -12.523 -1.847 -11.600 828 1HA GLY 110 HA2 GLY 110 -11.673 -3.101 -13.404 829 2HA GLY 110 HA1 GLY 110 -12.932 -2.252 -14.304 830 H GLY 111 HN GLY 111 -10.338 -0.481 -12.783 831 1HA GLY 111 HA2 GLY 111 -8.772 -0.330 -15.268 832 2HA GLY 111 HA1 GLY 111 -9.593 1.159 -14.805 833 HA PRO 112 HA PRO 112 -5.514 0.692 -12.499 834 1HB PRO 112 HB2 PRO 112 -4.054 2.467 -14.026 835 2HB PRO 112 HB1 PRO 112 -4.090 0.719 -14.310 836 1HG PRO 112 HG2 PRO 112 -5.380 2.913 -15.850 837 2HG PRO 112 HG1 PRO 112 -4.918 1.291 -16.388 838 1HD PRO 112 HD2 PRO 112 -7.539 2.157 -15.727 839 2HD PRO 112 HD1 PRO 112 -7.021 0.480 -16.001 840 H PHE 113 HN PHE 113 -7.211 1.969 -11.133 841 HA PHE 113 HA PHE 113 -6.072 4.332 -10.159 842 1HB PHE 113 HB2 PHE 113 -7.721 6.044 -11.029 843 2HB PHE 113 HB1 PHE 113 -6.567 5.458 -12.224 844 HD1 PHE 113 HD2 PHE 113 -10.061 5.078 -10.986 845 HD2 PHE 113 HD1 PHE 113 -7.284 4.278 -14.162 846 HE1 PHE 113 HE2 PHE 113 -11.933 4.350 -12.441 847 HE2 PHE 113 HE1 PHE 113 -9.155 3.552 -15.619 848 HZ PHE 113 HZ PHE 113 -11.484 3.589 -14.761 849 H CYS 114 HN CYS 114 -7.309 5.181 -8.343 850 HA CYS 114 HA CYS 114 -9.977 3.943 -7.939 851 1HB CYS 114 HB2 CYS 114 -9.458 3.065 -5.799 852 2HB CYS 114 HB1 CYS 114 -8.096 2.598 -6.812 853 H LEU 115 HN LEU 115 -11.432 5.543 -7.209 854 HA LEU 115 HA LEU 115 -11.096 7.396 -5.201 855 1HB LEU 115 HB2 LEU 115 -9.439 8.090 -7.479 856 2HB LEU 115 HB1 LEU 115 -10.637 9.349 -7.175 857 HG LEU 115 HG LEU 115 -8.928 8.156 -4.984 858 1HD1 LEU 115 HD13 LEU 115 -7.966 9.680 -7.087 859 2HD1 LEU 115 HD12 LEU 115 -8.311 10.889 -5.850 860 3HD1 LEU 115 HD11 LEU 115 -7.218 9.551 -5.495 861 1HD2 LEU 115 HD23 LEU 115 -11.094 9.323 -4.413 862 2HD2 LEU 115 HD22 LEU 115 -9.663 10.090 -3.725 863 3HD2 LEU 115 HD21 LEU 115 -10.435 10.784 -5.151 864 H SER 116 HN SER 116 -12.288 9.694 -6.061 865 HA SER 116 HA SER 116 -14.926 8.702 -6.971 866 1HB SER 116 HB2 SER 116 -14.086 10.674 -5.153 867 2HB SER 116 HB1 SER 116 -14.758 11.567 -6.514 868 HG SER 116 HG SER 116 -16.618 10.219 -6.338 869 H LEU 117 HN LEU 117 -12.431 9.139 -8.751 870 HA LEU 117 HA LEU 117 -12.910 11.390 -10.430 871 1HB LEU 117 HB2 LEU 117 -11.347 10.428 -11.942 872 2HB LEU 117 HB1 LEU 117 -10.811 9.970 -10.332 873 HG LEU 117 HG LEU 117 -10.619 7.994 -11.621 874 1HD1 LEU 117 HD13 LEU 117 -13.293 7.884 -10.209 875 2HD1 LEU 117 HD12 LEU 117 -12.361 6.482 -10.718 876 3HD1 LEU 117 HD11 LEU 117 -11.720 7.567 -9.485 877 1HD2 LEU 117 HD22 LEU 117 -12.397 9.133 -13.326 878 2HD2 LEU 117 HD21 LEU 117 -11.925 7.436 -13.402 879 3HD2 LEU 117 HD23 LEU 117 -13.418 7.901 -12.585 880 H LEU 118 HN LEU 118 -14.910 8.722 -9.992 881 HA LEU 118 HA LEU 118 -15.724 7.909 -12.519 882 1HB LEU 118 HB2 LEU 118 -17.210 8.212 -9.927 883 2HB LEU 118 HB1 LEU 118 -18.089 7.787 -11.393 884 HG LEU 118 HG LEU 118 -15.831 6.158 -11.464 885 1HD1 LEU 118 HD11 LEU 118 -16.812 6.594 -8.647 886 2HD1 LEU 118 HD13 LEU 118 -16.130 5.042 -9.135 887 3HD1 LEU 118 HD12 LEU 118 -15.152 6.506 -9.234 888 1HD2 LEU 118 HD23 LEU 118 -18.734 5.878 -10.895 889 2HD2 LEU 118 HD22 LEU 118 -17.743 5.068 -12.109 890 3HD2 LEU 118 HD21 LEU 118 -17.721 4.510 -10.435 891 H GLY 119 HN GLY 119 -16.259 11.132 -11.212 892 1HA GLY 119 HA2 GLY 119 -18.502 11.767 -12.902 893 2HA GLY 119 HA1 GLY 119 -17.459 12.939 -12.095 894 H ALA 120 HN ALA 120 -15.594 13.710 -13.201 895 HA ALA 120 HA ALA 120 -15.330 12.849 -16.034 896 1HB ALA 120 HB1 ALA 120 -16.654 14.947 -15.893 897 2HB ALA 120 HB3 ALA 120 -15.324 15.710 -15.021 898 3HB ALA 120 HB2 ALA 120 -15.107 15.206 -16.697 899 H GLY 121 HN GLY 121 -13.277 15.318 -15.833 900 1HA GLY 121 HA2 GLY 121 -10.979 15.511 -15.432 901 2HA GLY 121 HA1 GLY 121 -11.232 14.455 -14.042 902 H GLU 122 HN GLU 122 -12.380 13.060 -16.913 903 HA GLU 122 HA GLU 122 -11.644 11.115 -18.017 904 1HB GLU 122 HB2 GLU 122 -10.013 13.252 -18.658 905 2HB GLU 122 HB1 GLU 122 -8.852 12.018 -18.166 906 1HG GLU 122 HG2 GLU 122 -9.396 11.910 -20.602 907 2HG GLU 122 HG1 GLU 122 -9.813 10.425 -19.744 No H/Q in entry = 907 No H/Q in entry = 907
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